N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine

C15H21N3 — CID 114160675

IUPACN-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
SMILESC#CC(CC)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H21N3/c1-3-13(4-2)17-14-7-11-18(12-8-14)15-5-9-16-10-6-15/h1,5-6,9-10,13-14,17H,4,7-8,11-12H2,2H3
InChIKeyMOWOUIYUXKDMHQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.05
Rot. Bonds4

About N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine

N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 114160675) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
PubChem CID114160675
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
SMILESC#CC(CC)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H21N3/c1-3-13(4-2)17-14-7-11-18(12-8-14)15-5-9-16-10-6-15/h1,5-6,9-10,13-14,17H,4,7-8,11-12H2,2H3
InChIKeyMOWOUIYUXKDMHQ-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43343763
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705
N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 79101320
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
N'-ethyl-N'-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)ethane-1,2-diamine
CID 55097459

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine (CID 114160675) is N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine is C#CC(CC)NC1CCN(c2ccncc2)CC1.
What is the InChIKey of N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is MOWOUIYUXKDMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13(4-2)17-14-7-11-18(12-8-14)15-5-9-16-10-6-15/h1,5-6,9-10,13-14,17H,4,7-8,11-12H2,2H3.
What are the key properties of N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine?
N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 114160675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).