1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine

C14H21ClN2 — CID 63596526

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(16)13-6-8-17(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyUBTAKWCHRYESCU-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63596526) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID63596526
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(16)13-6-8-17(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyUBTAKWCHRYESCU-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
CID 83983242
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660
1-[1-[(3-chloro-4-nitrophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838115

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine (CID 63596526) is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is UBTAKWCHRYESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(16)13-6-8-17(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63596526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).