1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

C15H23ClN2 — CID 42254398

IUPAC1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H23ClN2/c1-17-11-14-3-2-9-18(12-14)10-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3/t14-/m1/s1
InChIKeyUBQXDXFPOHBPAE-CQSZACIVSA-N
MW266.82 g/mol
LogP2.81
Rot. Bonds5

About 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 42254398) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID42254398
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H23ClN2/c1-17-11-14-3-2-9-18(12-14)10-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3/t14-/m1/s1
InChIKeyUBQXDXFPOHBPAE-CQSZACIVSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513584
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (CID 42254398) is 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is CNC[C@H]1CCCN(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is UBQXDXFPOHBPAE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-17-11-14-3-2-9-18(12-14)10-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 42254398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).