N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C17H25ClN2 — CID 43758624

IUPACN-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H25ClN2/c1-13(2)7-10-20-11-8-15(9-12-20)19-17-6-4-5-16(18)14(17)3/h4-7,15,19H,8-12H2,1-3H3
InChIKeyNIXCZCKNKAQTDQ-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.49
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43758624) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43758624
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H25ClN2/c1-13(2)7-10-20-11-8-15(9-12-20)19-17-6-4-5-16(18)14(17)3/h4-7,15,19H,8-12H2,1-3H3
InChIKeyNIXCZCKNKAQTDQ-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-2-enyl)-N-(2,4,5-trichlorophenyl)piperidin-4-amine
CID 43759083
N-(5-bromo-2-chlorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 63477729
N-(2-bromo-5-chloro-4-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 104722912
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
CID 3902655
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 3931119
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43762199
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
2-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]phenol
CID 115617583
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43758624) is N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is NIXCZCKNKAQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-13(2)7-10-20-11-8-15(9-12-20)19-17-6-4-5-16(18)14(17)3/h4-7,15,19H,8-12H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 292.85 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43758624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).