5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol

C13H18ClNO2 — CID 117392596

IUPAC5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)c(Cl)cc1O
InChIInChI=1S/C13H18ClNO2/c1-17-13-6-10(11(14)7-12(13)16)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3
InChIKeyAPNZQRKDPLJTEE-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.60
Rot. Bonds3

About 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol

5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol (PubChem CID 117392596) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
PubChem CID117392596
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)c(Cl)cc1O
InChIInChI=1S/C13H18ClNO2/c1-17-13-6-10(11(14)7-12(13)16)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3
InChIKeyAPNZQRKDPLJTEE-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
CID 117479530
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
CID 117417246
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol (CID 117392596) is 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol is COc1cc(CC2CCCNC2)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is APNZQRKDPLJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-13-6-10(11(14)7-12(13)16)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol?
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 255.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 117392596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).