4-[(4-aminopiperidin-3-yl)methyl]phenol

C12H18N2O — CID 84779211

IUPAC4-[(4-aminopiperidin-3-yl)methyl]phenol
SMILESNC1CCNCC1Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O/c13-12-5-6-14-8-10(12)7-9-1-3-11(15)4-2-9/h1-4,10,12,14-15H,5-8,13H2
InChIKeyROEJPNOVZWAZME-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.87
Rot. Bonds2

About 4-[(4-aminopiperidin-3-yl)methyl]phenol

4-[(4-aminopiperidin-3-yl)methyl]phenol (PubChem CID 84779211) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(4-aminopiperidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-aminopiperidin-3-yl)methyl]phenol
PubChem CID84779211
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[(4-aminopiperidin-3-yl)methyl]phenol
SMILESNC1CCNCC1Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O/c13-12-5-6-14-8-10(12)7-9-1-3-11(15)4-2-9/h1-4,10,12,14-15H,5-8,13H2
InChIKeyROEJPNOVZWAZME-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 84664828
4-(piperidin-4-ylmethyl)phenol
CID 17039495
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
CID 114451747
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
4-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610650
4-(azepan-4-ylmethyl)phenol
CID 83261604
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-[(2-bromophenyl)methyl]piperidin-4-amine
CID 84808609
4-[(2-hydroxycyclohexyl)methyl]phenol
CID 54410536
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopiperidin-3-yl)methyl]phenol?
The IUPAC name of 4-[(4-aminopiperidin-3-yl)methyl]phenol (CID 84779211) is 4-[(4-aminopiperidin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-aminopiperidin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(4-aminopiperidin-3-yl)methyl]phenol is NC1CCNCC1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-aminopiperidin-3-yl)methyl]phenol?
The InChIKey is ROEJPNOVZWAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12-5-6-14-8-10(12)7-9-1-3-11(15)4-2-9/h1-4,10,12,14-15H,5-8,13H2.
What are the key properties of 4-[(4-aminopiperidin-3-yl)methyl]phenol?
4-[(4-aminopiperidin-3-yl)methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopiperidin-3-yl)methyl]phenol is sourced from PubChem (CID 84779211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).