N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine

C16H21ClN2 — CID 70079263

IUPACN-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
SMILESCCCC#CN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2/c1-2-3-4-11-19-12-9-16(10-13-19)18-15-7-5-14(17)6-8-15/h5-8,16,18H,2-3,9-10,12-13H2,1H3
InChIKeyORVDQDPDAXYFOE-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.98
Rot. Bonds3

About N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine

N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine (PubChem CID 70079263) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
PubChem CID70079263
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
SMILESCCCC#CN1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2/c1-2-3-4-11-19-12-9-16(10-13-19)18-15-7-5-14(17)6-8-15/h5-8,16,18H,2-3,9-10,12-13H2,1H3
InChIKeyORVDQDPDAXYFOE-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.98
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-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
CID 70079264
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
CID 4005434
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
2-[4-(4-chloroanilino)piperidin-1-yl]cyclohexan-1-one
CID 86594083
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
CID 43673068

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine (CID 70079263) is N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine is CCCC#CN1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The InChIKey is ORVDQDPDAXYFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-3-4-11-19-12-9-16(10-13-19)18-15-7-5-14(17)6-8-15/h5-8,16,18H,2-3,9-10,12-13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine is sourced from PubChem (CID 70079263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).