2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol

C14H21ClN2O — CID 63254307

IUPAC2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
SMILESCC(N)C1CCCCN1Cc1cc(Cl)ccc1O
InChIInChI=1S/C14H21ClN2O/c1-10(16)13-4-2-3-7-17(13)9-11-8-12(15)5-6-14(11)18/h5-6,8,10,13,18H,2-4,7,9,16H2,1H3
InChIKeyVIGBSIBIUVWHCP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds3

About 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol

2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol (PubChem CID 63254307) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
PubChem CID63254307
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
SMILESCC(N)C1CCCCN1Cc1cc(Cl)ccc1O
InChIInChI=1S/C14H21ClN2O/c1-10(16)13-4-2-3-7-17(13)9-11-8-12(15)5-6-14(11)18/h5-6,8,10,13,18H,2-4,7,9,16H2,1H3
InChIKeyVIGBSIBIUVWHCP-UHFFFAOYSA-N
XLogP2.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
4-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]phenol
CID 82982483
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol?
The IUPAC name of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol (CID 63254307) is 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol?
The canonical SMILES for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol is CC(N)C1CCCCN1Cc1cc(Cl)ccc1O.
What is the InChIKey of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol?
The InChIKey is VIGBSIBIUVWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(16)13-4-2-3-7-17(13)9-11-8-12(15)5-6-14(11)18/h5-6,8,10,13,18H,2-4,7,9,16H2,1H3.
What are the key properties of 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol?
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol has a molecular weight of 268.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol is sourced from PubChem (CID 63254307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).