4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine

C20H40N2 — CID 174291983

IUPAC4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
SMILESCCCCC1(CCC)CCN(CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H40N2/c1-5-7-11-20(10-6-2)12-15-21(17-20)16-19-8-13-22(14-9-19)18(3)4/h18-19H,5-17H2,1-4H3
InChIKeySRHDJHYTEMNPDQ-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.79
Rot. Bonds8

About 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine

4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine (PubChem CID 174291983) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
PubChem CID174291983
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
SMILESCCCCC1(CCC)CCN(CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H40N2/c1-5-7-11-20(10-6-2)12-15-21(17-20)16-19-8-13-22(14-9-19)18(3)4/h18-19H,5-17H2,1-4H3
InChIKeySRHDJHYTEMNPDQ-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
CID 170740010
4-octyl-1-propan-2-ylpiperidine
CID 167231286
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine (CID 174291983) is 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine is CCCCC1(CCC)CCN(CC2CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine?
The InChIKey is SRHDJHYTEMNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-7-11-20(10-6-2)12-15-21(17-20)16-19-8-13-22(14-9-19)18(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine?
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine has a molecular weight of 308.55 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 174291983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).