4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol

C14H22N2O — CID 107160669

IUPAC4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
SMILESCC1(CN)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-14(11-15)6-8-16(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,17H,6-11,15H2,1H3
InChIKeyRIWRTSRUKDZDMW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds3

About 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol

4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol (PubChem CID 107160669) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
PubChem CID107160669
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
SMILESCC1(CN)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-14(11-15)6-8-16(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,17H,6-11,15H2,1H3
InChIKeyRIWRTSRUKDZDMW-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120772368
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 82298989
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol (CID 107160669) is 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol is CC1(CN)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol?
The InChIKey is RIWRTSRUKDZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(11-15)6-8-16(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,17H,6-11,15H2,1H3.
What are the key properties of 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol?
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol is sourced from PubChem (CID 107160669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).