N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine

C16H23N3 — CID 115723624

IUPACN-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
SMILESC#CCC(CC)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H23N3/c1-3-7-14(4-2)18-15-9-12-19(13-10-15)16-8-5-6-11-17-16/h1,5-6,8,11,14-15,18H,4,7,9-10,12-13H2,2H3
InChIKeyBIUHJJCXLAOZLH-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.44
Rot. Bonds5

About N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine

N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 115723624) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
PubChem CID115723624
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
SMILESC#CCC(CC)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H23N3/c1-3-7-14(4-2)18-15-9-12-19(13-10-15)16-8-5-6-11-17-16/h1,5-6,8,11,14-15,18H,4,7,9-10,12-13H2,2H3
InChIKeyBIUHJJCXLAOZLH-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.44
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-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
CID 115723560
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine (CID 115723624) is N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine is C#CCC(CC)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is BIUHJJCXLAOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-7-14(4-2)18-15-9-12-19(13-10-15)16-8-5-6-11-17-16/h1,5-6,8,11,14-15,18H,4,7,9-10,12-13H2,2H3.
What are the key properties of N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine?
N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 115723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).