3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine

C16H25ClN2 — CID 83982486

IUPAC3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCCC1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-18-10-5-9-16-8-2-3-11-19(16)13-14-6-4-7-15(17)12-14/h4,6-7,12,16,18H,2-3,5,8-11,13H2,1H3
InChIKeyCKUWAKGIVHHTPB-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds6

About 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine

3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine (PubChem CID 83982486) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine
PubChem CID83982486
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine
SMILESCNCCCC1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-18-10-5-9-16-8-2-3-11-19(16)13-14-6-4-7-15(17)12-14/h4,6-7,12,16,18H,2-3,5,8-11,13H2,1H3
InChIKeyCKUWAKGIVHHTPB-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine (CID 83982486) is 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine is CNCCCC1CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine?
The InChIKey is CKUWAKGIVHHTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-18-10-5-9-16-8-2-3-11-19(16)13-14-6-4-7-15(17)12-14/h4,6-7,12,16,18H,2-3,5,8-11,13H2,1H3.
What are the key properties of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine?
3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 83982486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).