1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine

C14H29N3 — CID 106637748

IUPAC1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-9-17-10-6-13(7-11-17)16-12-14-5-4-8-15-14/h13-16H,2-12H2,1H3
InChIKeyJVJQLWWPEAVCSW-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.59
Rot. Bonds6

About 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine

1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine (PubChem CID 106637748) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
PubChem CID106637748
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
SMILESCCCCN1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-9-17-10-6-13(7-11-17)16-12-14-5-4-8-15-14/h13-16H,2-12H2,1H3
InChIKeyJVJQLWWPEAVCSW-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
4-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106638181
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
N-[1-(3-pyrrolidin-2-ylpropyl)piperidin-4-yl]acetamide
CID 113402351
1-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine
CID 61325567
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 106637739

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine (CID 106637748) is 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine is CCCCN1CCC(NCC2CCCN2)CC1.
What is the InChIKey of 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine?
The InChIKey is JVJQLWWPEAVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-3-9-17-10-6-13(7-11-17)16-12-14-5-4-8-15-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine?
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 106637748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).