4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine

C14H27ClN2 — CID 107913673

IUPAC4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
SMILESCN1CCCCC1CCNC1CCC(Cl)CC1
InChIInChI=1S/C14H27ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h12-14,16H,2-11H2,1H3
InChIKeyYWDIYPNEYQSHCE-UHFFFAOYSA-N
MW258.84 g/mol
LogP3.00
Rot. Bonds4

About 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine

4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 107913673) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
PubChem CID107913673
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
SMILESCN1CCCCC1CCNC1CCC(Cl)CC1
InChIInChI=1S/C14H27ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h12-14,16H,2-11H2,1H3
InChIKeyYWDIYPNEYQSHCE-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 161410894
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 107910875
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60690787
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
2-methoxy-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclopentan-1-amine
CID 55067119
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140
2-ethyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butan-1-ol
CID 62518488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine (CID 107913673) is 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine is CN1CCCCC1CCNC1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is YWDIYPNEYQSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 258.84 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 107913673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).