N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine

C17H24N2 — CID 103786007

IUPACN-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
SMILESC#CCC(CC)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-3-8-15(4-2)18-16-11-13-19(14-12-16)17-9-6-5-7-10-17/h1,5-7,9-10,15-16,18H,4,8,11-14H2,2H3
InChIKeyODULEHCTEDRPJN-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.05
Rot. Bonds5

About N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine

N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine (PubChem CID 103786007) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
PubChem CID103786007
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
SMILESC#CCC(CC)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-3-8-15(4-2)18-16-11-13-19(14-12-16)17-9-6-5-7-10-17/h1,5-7,9-10,15-16,18H,4,8,11-14H2,2H3
InChIKeyODULEHCTEDRPJN-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pyridin-2-ylpiperidin-4-amine
CID 115723624
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
CID 114160675
N-hex-5-yn-3-ylthian-4-amine
CID 115723527
N-pent-4-en-2-yl-1-phenylpiperidin-4-amine
CID 103902346
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
CID 103787492
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
CID 103902239
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
(4S)-4-phenyl-4-[(1-phenylpiperidin-4-yl)amino]butanenitrile
CID 124514875
3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
CID 43373491
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
CID 103776102

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine?
The IUPAC name of N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine (CID 103786007) is N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine?
The canonical SMILES for N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine is C#CCC(CC)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine?
The InChIKey is ODULEHCTEDRPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-8-15(4-2)18-16-11-13-19(14-12-16)17-9-6-5-7-10-17/h1,5-7,9-10,15-16,18H,4,8,11-14H2,2H3.
What are the key properties of N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine?
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103786007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).