N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine

C15H31N3O — CID 81464896

IUPACN,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
SMILESCC1CN(CCCOC2CCNCC2)CC1N(C)C
InChIInChI=1S/C15H31N3O/c1-13-11-18(12-15(13)17(2)3)9-4-10-19-14-5-7-16-8-6-14/h13-16H,4-12H2,1-3H3
InChIKeyXTUDGSSDCJFJAK-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine

N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine (PubChem CID 81464896) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
PubChem CID81464896
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
SMILESCC1CN(CCCOC2CCNCC2)CC1N(C)C
InChIInChI=1S/C15H31N3O/c1-13-11-18(12-15(13)17(2)3)9-4-10-19-14-5-7-16-8-6-14/h13-16H,4-12H2,1-3H3
InChIKeyXTUDGSSDCJFJAK-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine (CID 81464896) is N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine is CC1CN(CCCOC2CCNCC2)CC1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine?
The InChIKey is XTUDGSSDCJFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13-11-18(12-15(13)17(2)3)9-4-10-19-14-5-7-16-8-6-14/h13-16H,4-12H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine?
N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 81464896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).