(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C14H18ClNO2 — CID 110869857

IUPAC(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClNO2/c1-18-10-11-5-7-16(8-6-11)14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyLNUGXBDMDHSWCZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds3

About (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 110869857) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID110869857
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClNO2/c1-18-10-11-5-7-16(8-6-11)14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyLNUGXBDMDHSWCZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150363
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 110869857) is (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LNUGXBDMDHSWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-10-11-5-7-16(8-6-11)14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110869857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).