bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one

C85H169N15O2 — CID 157140079

IUPACbis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one

SMILESCC(=O)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(=O)NC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1

InChIInChI=1S/C15H28N2O.C14H27N3O.2C14H29N3.2C14H28N2/c1-12(2)16-8-5-15(6-9-16)17-7-4-14(11-17)10-13(3)18;1-11(2)16-8-5-14(6-9-16)17-7-4-13(10-17)15-12(3)18;2*1-12(2)17-9-6-13(7-10-17)16(4)14-5-8-15(3)11-14;2*1-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h12,14-15H,4-11H2,1-3H3;11,13-14H,4-10H2,1-3H3,(H,15,18);2*12-14H,5-11H2,1-4H3;2*11-14H,5-10H2,1-4H3

InChIKeyAKBYQOLZYVVYHT-UHFFFAOYSA-N

MW1433.39 g/mol

LogP11.11

Rot. Bonds17

About bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one

bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one (PubChem CID 157140079) has the molecular formula C85H169N15O2 and a molecular weight of 1433.39 g/mol. Its IUPAC name is bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name	bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one
PubChem CID	157140079
Molecular Formula	C85H169N15O2
Molecular Weight	1433.39 g/mol
Exact Mass	1432.36
IUPAC Name	bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one
SMILES	CC(=O)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(=O)NC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1
InChI	InChI=1S/C15H28N2O.C14H27N3O.2C14H29N3.2C14H28N2/c1-12(2)16-8-5-15(6-9-16)17-7-4-14(11-17)10-13(3)18;1-11(2)16-8-5-14(6-9-16)17-7-4-13(10-17)15-12(3)18;21-12(2)17-9-6-13(7-10-17)16(4)14-5-8-15(3)11-14;21-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h12,14-15H,4-11H2,1-3H3;11,13-14H,4-10H2,1-3H3,(H,15,18);212-14H,5-11H2,1-4H3;211-14H,5-10H2,1-4H3
InChIKey	AKBYQOLZYVVYHT-UHFFFAOYSA-N
XLogP	11.11
TPSA	91.53 Å²
H-Bond Donors	1
H-Bond Acceptors	16
Rotatable Bonds	17
Heavy Atoms	102
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.39
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one?

The IUPAC name of bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one (CID 157140079) is bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one.

What is the SMILES notation for bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one?

The canonical SMILES for bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one is CC(=O)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(=O)NC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC(C)N1CCC(N(C)C2CCN(C)C2)CC1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1.CC1CC(C)CN(C2CCN(C(C)C)C2)C1.

What is the InChIKey of bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one?

The InChIKey is AKBYQOLZYVVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C14H27N3O.2C14H29N3.2C14H28N2/c1-12(2)16-8-5-15(6-9-16)17-7-4-14(11-17)10-13(3)18;1-11(2)16-8-5-14(6-9-16)17-7-4-13(10-17)15-12(3)18;2*1-12(2)17-9-6-13(7-10-17)16(4)14-5-8-15(3)11-14;2*1-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h12,14-15H,4-11H2,1-3H3;11,13-14H,4-10H2,1-3H3,(H,15,18);2*12-14H,5-11H2,1-4H3;2*11-14H,5-10H2,1-4H3.

What are the key properties of bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one?

Where does this data come from?

All data for bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 157140079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).