N-but-2-ynyl-1-phenylpiperidin-4-amine

C15H20N2 — CID 103905898

IUPACN-but-2-ynyl-1-phenylpiperidin-4-amine
SMILESCC#CCNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2/c1-2-3-11-16-14-9-12-17(13-10-14)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1H3
InChIKeyUTWPFEBQLPMAHJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.27
Rot. Bonds3

About N-but-2-ynyl-1-phenylpiperidin-4-amine

N-but-2-ynyl-1-phenylpiperidin-4-amine (PubChem CID 103905898) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-but-2-ynyl-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1-phenylpiperidin-4-amine
PubChem CID103905898
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-but-2-ynyl-1-phenylpiperidin-4-amine
SMILESCC#CCNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2/c1-2-3-11-16-14-9-12-17(13-10-14)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1H3
InChIKeyUTWPFEBQLPMAHJ-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.27
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-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
CID 121498693
N-but-2-ynyl-1-methylpiperidin-4-amine
CID 62310337
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
CID 102613559
4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
CID 103779736
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-phenylpiperidin-4-amine?
The IUPAC name of N-but-2-ynyl-1-phenylpiperidin-4-amine (CID 103905898) is N-but-2-ynyl-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-but-2-ynyl-1-phenylpiperidin-4-amine?
The canonical SMILES for N-but-2-ynyl-1-phenylpiperidin-4-amine is CC#CCNC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-but-2-ynyl-1-phenylpiperidin-4-amine?
The InChIKey is UTWPFEBQLPMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-3-11-16-14-9-12-17(13-10-14)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1H3.
What are the key properties of N-but-2-ynyl-1-phenylpiperidin-4-amine?
N-but-2-ynyl-1-phenylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103905898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).