N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine

C14H16BrClN2 — CID 43774950

IUPACN-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H16BrClN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2
InChIKeyKIQPUCUUEQEADI-UHFFFAOYSA-N
MW327.65 g/mol
LogP3.61
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine

N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43774950) has the molecular formula C14H16BrClN2 and a molecular weight of 327.65 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43774950
Molecular FormulaC14H16BrClN2
Molecular Weight327.65 g/mol
Exact Mass326.02
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H16BrClN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2
InChIKeyKIQPUCUUEQEADI-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 53.61
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-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
4-bromo-2-[[1-(cyanomethyl)piperidin-4-yl]amino]benzonitrile
CID 114901231
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
2-[4-(2-chloro-4-nitroanilino)piperidin-1-yl]acetonitrile
CID 63625562
3-nitro-4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenol
CID 43792219
4-bromo-2-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63423181

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43774950) is N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is KIQPUCUUEQEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h1,3-4,10,12,17H,5-9H2.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 327.65 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43774950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).