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

C16H21ClN2O2 — CID 106502684

IUPAC(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-15-4-3-13(20)9-14(15)16(21)19-7-5-12(6-8-19)18-10-11-1-2-11/h3-4,9,11-12,18,20H,1-2,5-8,10H2
InChIKeyXBFMTLNPJWVWMQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.65
Rot. Bonds4

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

(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 106502684) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID106502684
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-15-4-3-13(20)9-14(15)16(21)19-7-5-12(6-8-19)18-10-11-1-2-11/h3-4,9,11-12,18,20H,1-2,5-8,10H2
InChIKeyXBFMTLNPJWVWMQ-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106503185
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 106502684) is (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(c1cc(O)ccc1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is XBFMTLNPJWVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-15-4-3-13(20)9-14(15)16(21)19-7-5-12(6-8-19)18-10-11-1-2-11/h3-4,9,11-12,18,20H,1-2,5-8,10H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 308.81 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 106502684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).