[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone

C14H19ClN2O2 — CID 106502596

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9(16)10-4-6-17(7-5-10)14(19)12-8-11(18)2-3-13(12)15/h2-3,8-10,18H,4-7,16H2,1H3
InChIKeyYTUQYZFNEKWLLY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.24
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone (PubChem CID 106502596) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
PubChem CID106502596
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9(16)10-4-6-17(7-5-10)14(19)12-8-11(18)2-3-13(12)15/h2-3,8-10,18H,4-7,16H2,1H3
InChIKeyYTUQYZFNEKWLLY-UHFFFAOYSA-N
XLogP2.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 106500416
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 112630740

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone (CID 106502596) is [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone is CC(N)C1CCN(C(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone?
The InChIKey is YTUQYZFNEKWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(16)10-4-6-17(7-5-10)14(19)12-8-11(18)2-3-13(12)15/h2-3,8-10,18H,4-7,16H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone is sourced from PubChem (CID 106502596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).