1-but-3-ynyl-N-phenylpiperidin-4-amine

C15H20N2 — CID 18427954

IUPAC1-but-3-ynyl-N-phenylpiperidin-4-amine
SMILESC#CCCN1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C15H20N2/c1-2-3-11-17-12-9-15(10-13-17)16-14-7-5-4-6-8-14/h1,4-8,15-16H,3,9-13H2
InChIKeyGVGNYBYGPXNXMA-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.59
Rot. Bonds4

About 1-but-3-ynyl-N-phenylpiperidin-4-amine

1-but-3-ynyl-N-phenylpiperidin-4-amine (PubChem CID 18427954) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-but-3-ynyl-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-but-3-ynyl-N-phenylpiperidin-4-amine
PubChem CID18427954
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-but-3-ynyl-N-phenylpiperidin-4-amine
SMILESC#CCCN1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C15H20N2/c1-2-3-11-17-12-9-15(10-13-17)16-14-7-5-4-6-8-14/h1,4-8,15-16H,3,9-13H2
InChIKeyGVGNYBYGPXNXMA-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.59
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-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
N-cyclopropylaniline;hydrochloride
CID 44717153
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
3-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044526

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-N-phenylpiperidin-4-amine?
The IUPAC name of 1-but-3-ynyl-N-phenylpiperidin-4-amine (CID 18427954) is 1-but-3-ynyl-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-but-3-ynyl-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-but-3-ynyl-N-phenylpiperidin-4-amine is C#CCCN1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 1-but-3-ynyl-N-phenylpiperidin-4-amine?
The InChIKey is GVGNYBYGPXNXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-3-11-17-12-9-15(10-13-17)16-14-7-5-4-6-8-14/h1,4-8,15-16H,3,9-13H2.
What are the key properties of 1-but-3-ynyl-N-phenylpiperidin-4-amine?
1-but-3-ynyl-N-phenylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-N-phenylpiperidin-4-amine is sourced from PubChem (CID 18427954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).