1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine

C15H22ClNO — CID 177027739

IUPAC1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
SMILESCCOc1ccc(Cl)cc1CN1CCCC(C)C1
InChIInChI=1S/C15H22ClNO/c1-3-18-15-7-6-14(16)9-13(15)11-17-8-4-5-12(2)10-17/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyXUJUBGMPOVYPDM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.97
Rot. Bonds4

About 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine

1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine (PubChem CID 177027739) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
PubChem CID177027739
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
SMILESCCOc1ccc(Cl)cc1CN1CCCC(C)C1
InChIInChI=1S/C15H22ClNO/c1-3-18-15-7-6-14(16)9-13(15)11-17-8-4-5-12(2)10-17/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyXUJUBGMPOVYPDM-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82051122
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 120834763
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
[(3S)-1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methylazanium
CID 177027719
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[1-[(2-butoxy-5-chlorophenyl)methyl]pyrrolidin-3-yl]methanamine;ethane
CID 171625215
1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine?
The IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine (CID 177027739) is 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine is CCOc1ccc(Cl)cc1CN1CCCC(C)C1.
What is the InChIKey of 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine?
The InChIKey is XUJUBGMPOVYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-18-15-7-6-14(16)9-13(15)11-17-8-4-5-12(2)10-17/h6-7,9,12H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine?
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine has a molecular weight of 267.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 177027739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).