4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride

C13H20ClNO — CID 22628376

IUPAC4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCc1ccc(CC2(O)CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)10-13(15)6-8-14-9-7-13;/h2-5,14-15H,6-10H2,1H3;1H
InChIKeyMXPDCQFHSYETMZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.07
Rot. Bonds2

About 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride

4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride (PubChem CID 22628376) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
PubChem CID22628376
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCc1ccc(CC2(O)CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)10-13(15)6-8-14-9-7-13;/h2-5,14-15H,6-10H2,1H3;1H
InChIKeyMXPDCQFHSYETMZ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 162213078
2-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]acetamide
CID 142637723
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
CID 106823825
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride (CID 22628376) is 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride is Cc1ccc(CC2(O)CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride?
The InChIKey is MXPDCQFHSYETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)10-13(15)6-8-14-9-7-13;/h2-5,14-15H,6-10H2,1H3;1H.
What are the key properties of 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride?
4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 22628376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).