N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride

C16H29Cl2N3 — CID 11151770

IUPACN-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
SMILESCl.Cl.c1cc(NCCCCCCN2CCCCC2)ccn1
InChIInChI=1S/C16H27N3.2ClH/c1(2-5-13-19-14-6-3-7-15-19)4-10-18-16-8-11-17-12-9-16;;/h8-9,11-12H,1-7,10,13-15H2,(H,17,18);2*1H
InChIKeyQRHHQLSMKNJRMQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.38
Rot. Bonds8

About N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride

N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride (PubChem CID 11151770) has the molecular formula C16H29Cl2N3 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
PubChem CID11151770
Molecular FormulaC16H29Cl2N3
Molecular Weight334.33 g/mol
Exact Mass333.17
IUPAC NameN-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
SMILESCl.Cl.c1cc(NCCCCCCN2CCCCC2)ccn1
InChIInChI=1S/C16H27N3.2ClH/c1(2-5-13-19-14-6-3-7-15-19)4-10-18-16-8-11-17-12-9-16;;/h8-9,11-12H,1-7,10,13-15H2,(H,17,18);2*1H
InChIKeyQRHHQLSMKNJRMQ-UHFFFAOYSA-N
XLogP4.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride?
The IUPAC name of N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride (CID 11151770) is N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride.
What is the SMILES notation for N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride?
The canonical SMILES for N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride is Cl.Cl.c1cc(NCCCCCCN2CCCCC2)ccn1.
What is the InChIKey of N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride?
The InChIKey is QRHHQLSMKNJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3.2ClH/c1(2-5-13-19-14-6-3-7-15-19)4-10-18-16-8-11-17-12-9-16;;/h8-9,11-12H,1-7,10,13-15H2,(H,17,18);2*1H.
What are the key properties of N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride?
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride has a molecular weight of 334.33 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride is sourced from PubChem (CID 11151770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).