(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone

C19H27NO3 — CID 110912966

IUPAC(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-23-17-6-4-15(5-7-17)14-16-8-12-20(13-9-16)18(21)19(22)10-2-3-11-19/h4-7,16,22H,2-3,8-14H2,1H3
InChIKeyHQGZKGZISSMMEF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.78
Rot. Bonds4

About (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone

(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 110912966) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
PubChem CID110912966
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-23-17-6-4-15(5-7-17)14-16-8-12-20(13-9-16)18(21)19(22)10-2-3-11-19/h4-7,16,22H,2-3,8-14H2,1H3
InChIKeyHQGZKGZISSMMEF-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
formic acid;(4-hydroxy-1-methylpiperidin-4-yl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 171711113
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120929969
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119765850
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119765862

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone (CID 110912966) is (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone is COc1ccc(CC2CCN(C(=O)C3(O)CCCC3)CC2)cc1.
What is the InChIKey of (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is HQGZKGZISSMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-17-6-4-15(5-7-17)14-16-8-12-20(13-9-16)18(21)19(22)10-2-3-11-19/h4-7,16,22H,2-3,8-14H2,1H3.
What are the key properties of (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone?
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110912966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).