N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine

C14H24N4 — CID 60895619

IUPACN'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
SMILESNCCCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H24N4/c15-7-1-2-8-17-13-5-11-18(12-6-13)14-3-9-16-10-4-14/h3-4,9-10,13,17H,1-2,5-8,11-12,15H2
InChIKeyQMQSPSLJNZHAEI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.38
Rot. Bonds6

About N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine

N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine (PubChem CID 60895619) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
PubChem CID60895619
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
SMILESNCCCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H24N4/c15-7-1-2-8-17-13-5-11-18(12-6-13)14-3-9-16-10-4-14/h3-4,9-10,13,17H,1-2,5-8,11-12,15H2
InChIKeyQMQSPSLJNZHAEI-UHFFFAOYSA-N
XLogP1.38
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
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'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine?
The IUPAC name of N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine (CID 60895619) is N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine?
The canonical SMILES for N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine is NCCCCNC1CCN(c2ccncc2)CC1.
What is the InChIKey of N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine?
The InChIKey is QMQSPSLJNZHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-7-1-2-8-17-13-5-11-18(12-6-13)14-3-9-16-10-4-14/h3-4,9-10,13,17H,1-2,5-8,11-12,15H2.
What are the key properties of N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine?
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 60895619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).