2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol

C16H25ClN2O2 — CID 146043433

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
SMILESCOc1ccc(Cl)cc1CN(C)CC(O)C1CCNCC1
InChIInChI=1S/C16H25ClN2O2/c1-19(11-15(20)12-5-7-18-8-6-12)10-13-9-14(17)3-4-16(13)21-2/h3-4,9,12,15,18,20H,5-8,10-11H2,1-2H3
InChIKeyOSBJIHBJUAJJFX-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.14
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol (PubChem CID 146043433) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
PubChem CID146043433
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
SMILESCOc1ccc(Cl)cc1CN(C)CC(O)C1CCNCC1
InChIInChI=1S/C16H25ClN2O2/c1-19(11-15(20)12-5-7-18-8-6-12)10-13-9-14(17)3-4-16(13)21-2/h3-4,9,12,15,18,20H,5-8,10-11H2,1-2H3
InChIKeyOSBJIHBJUAJJFX-UHFFFAOYSA-N
XLogP2.14
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110880362
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691132
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
1-[(5-chloro-2-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107828
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol (CID 146043433) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol is COc1ccc(Cl)cc1CN(C)CC(O)C1CCNCC1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol?
The InChIKey is OSBJIHBJUAJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-19(11-15(20)12-5-7-18-8-6-12)10-13-9-14(17)3-4-16(13)21-2/h3-4,9,12,15,18,20H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol has a molecular weight of 312.84 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol is sourced from PubChem (CID 146043433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).