3-[4-(aminomethyl)piperidin-3-yl]phenol

C12H18N2O — CID 82610660

IUPAC3-[4-(aminomethyl)piperidin-3-yl]phenol
SMILESNCC1CCNCC1c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c13-7-10-4-5-14-8-12(10)9-2-1-3-11(15)6-9/h1-3,6,10,12,14-15H,4-5,7-8,13H2
InChIKeyOULUKQKOVBUHSZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.04
Rot. Bonds2

About 3-[4-(aminomethyl)piperidin-3-yl]phenol

3-[4-(aminomethyl)piperidin-3-yl]phenol (PubChem CID 82610660) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidin-3-yl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidin-3-yl]phenol
PubChem CID82610660
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[4-(aminomethyl)piperidin-3-yl]phenol
SMILESNCC1CCNCC1c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c13-7-10-4-5-14-8-12(10)9-2-1-3-11(15)6-9/h1-3,6,10,12,14-15H,4-5,7-8,13H2
InChIKeyOULUKQKOVBUHSZ-UHFFFAOYSA-N
XLogP1.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610650
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-pyrrolidin-3-ylphenol
CID 12937992
1-[(3R,4S)-3-(3-hydroxyphenyl)piperidin-4-yl]ethanone
CID 58977830
3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
CID 82616502
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
CID 173046865
4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
CID 82617235
4-ethyl-3-phenylpiperidine
CID 175022073
4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 53398348
3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidin-3-yl]phenol?
The IUPAC name of 3-[4-(aminomethyl)piperidin-3-yl]phenol (CID 82610660) is 3-[4-(aminomethyl)piperidin-3-yl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)piperidin-3-yl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)piperidin-3-yl]phenol is NCC1CCNCC1c1cccc(O)c1.
What is the InChIKey of 3-[4-(aminomethyl)piperidin-3-yl]phenol?
The InChIKey is OULUKQKOVBUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-7-10-4-5-14-8-12(10)9-2-1-3-11(15)6-9/h1-3,6,10,12,14-15H,4-5,7-8,13H2.
What are the key properties of 3-[4-(aminomethyl)piperidin-3-yl]phenol?
3-[4-(aminomethyl)piperidin-3-yl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidin-3-yl]phenol is sourced from PubChem (CID 82610660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).