4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine

C17H35N3 — CID 142273923

IUPAC4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESC1CCN(CCCCNCCCN2CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-4-12-19(13-5-1)16-8-3-10-18-11-9-17-20-14-6-2-7-15-20/h18H,1-17H2
InChIKeyZFJLKVCBIXZNKS-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.72
Rot. Bonds9

About 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine

4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine (PubChem CID 142273923) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
PubChem CID142273923
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESC1CCN(CCCCNCCCN2CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-4-12-19(13-5-1)16-8-3-10-18-11-9-17-20-14-6-2-7-15-20/h18H,1-17H2
InChIKeyZFJLKVCBIXZNKS-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.72
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

4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
3-(4-pyrrolidin-1-ylbutylamino)propanoic acid
CID 82316559
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine (CID 142273923) is 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine is C1CCN(CCCCNCCCN2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The InChIKey is ZFJLKVCBIXZNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-12-19(13-5-1)16-8-3-10-18-11-9-17-20-14-6-2-7-15-20/h18H,1-17H2.
What are the key properties of 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 142273923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).