1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine

C15H31N3 — CID 54953008

IUPAC1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
SMILESCCCN1CCC(NC(C)CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-8-17-11-6-15(7-12-17)16-14(2)13-18-9-4-5-10-18/h14-16H,3-13H2,1-2H3
InChIKeyJWGYKUFTGZQJGB-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds6

About 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine

1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine (PubChem CID 54953008) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
PubChem CID54953008
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
SMILESCCCN1CCC(NC(C)CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-8-17-11-6-15(7-12-17)16-14(2)13-18-9-4-5-10-18/h14-16H,3-13H2,1-2H3
InChIKeyJWGYKUFTGZQJGB-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 61223216
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
N-(1-piperidin-2-ylpropan-2-yl)-1-propylpiperidin-4-amine
CID 79549171
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 104860074
N-methyl-1-propylazepan-4-amine
CID 65072873
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293
3-propan-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 103561795
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine (CID 54953008) is 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine is CCCN1CCC(NC(C)CN2CCCC2)CC1.
What is the InChIKey of 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is JWGYKUFTGZQJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-8-17-11-6-15(7-12-17)16-14(2)13-18-9-4-5-10-18/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine?
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 54953008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).