4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine

C14H29N3 — CID 61216652

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
SMILESNCCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c15-8-2-5-9-16-12-6-14(7-13-16)17-10-3-1-4-11-17/h14H,1-13,15H2
InChIKeyQXDIVQWSHJJBRD-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.68
Rot. Bonds5

About 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine

4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine (PubChem CID 61216652) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
PubChem CID61216652
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
SMILESNCCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c15-8-2-5-9-16-12-6-14(7-13-16)17-10-3-1-4-11-17/h14H,1-13,15H2
InChIKeyQXDIVQWSHJJBRD-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
CID 61216300
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
2-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 101060426
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine (CID 61216652) is 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine is NCCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine?
The InChIKey is QXDIVQWSHJJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c15-8-2-5-9-16-12-6-14(7-13-16)17-10-3-1-4-11-17/h14H,1-13,15H2.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine?
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 61216652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).