4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride

C13H21ClN2O — CID 122236517

IUPAC4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
SMILESCl.NCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-11,14H2;1H
InChIKeyBHZDQAOWYPHXKX-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.39
Rot. Bonds3

About 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride

4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride (PubChem CID 122236517) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
PubChem CID122236517
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
SMILESCl.NCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-11,14H2;1H
InChIKeyBHZDQAOWYPHXKX-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 82298989
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride?
The IUPAC name of 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride (CID 122236517) is 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride is Cl.NCC1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride?
The InChIKey is BHZDQAOWYPHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-11,14H2;1H.
What are the key properties of 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride?
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 122236517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).