N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine

C16H21ClN2 — CID 70079264

IUPACN-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
SMILESCCCC#CN1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2/c1-2-3-6-11-19-12-9-14(10-13-19)18-16-8-5-4-7-15(16)17/h4-5,7-8,14,18H,2-3,9-10,12-13H2,1H3
InChIKeyRIEPOTMDOLBBHX-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.98
Rot. Bonds3

About N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine

N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine (PubChem CID 70079264) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
PubChem CID70079264
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
SMILESCCCC#CN1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2/c1-2-3-6-11-19-12-9-14(10-13-19)18-16-8-5-4-7-15(16)17/h4-5,7-8,14,18H,2-3,9-10,12-13H2,1H3
InChIKeyRIEPOTMDOLBBHX-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-(4-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
CID 70079263
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
CID 3576043
1,5-diamino-2,4-bis[4-(2-chloroanilino)piperidin-1-yl]pentan-3-one
CID 174643896
2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde
CID 87187153
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
CID 3902655
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161
N-(2-chlorophenyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine
CID 7370782
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
CID 7366693
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine (CID 70079264) is N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine is CCCC#CN1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
The InChIKey is RIEPOTMDOLBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-3-6-11-19-12-9-14(10-13-19)18-16-8-5-4-7-15(16)17/h4-5,7-8,14,18H,2-3,9-10,12-13H2,1H3.
What are the key properties of N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine?
N-(2-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-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine is sourced from PubChem (CID 70079264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).