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

C12H18N2O — CID 82610650

IUPAC4-[4-(aminomethyl)piperidin-3-yl]phenol
SMILESNCC1CCNCC1c1ccc(O)cc1
InChIInChI=1S/C12H18N2O/c13-7-10-5-6-14-8-12(10)9-1-3-11(15)4-2-9/h1-4,10,12,14-15H,5-8,13H2
InChIKeySROPDNZUZWPQKQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.04
Rot. Bonds2

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

4-[4-(aminomethyl)piperidin-3-yl]phenol (PubChem CID 82610650) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-3-yl]phenol
PubChem CID82610650
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[4-(aminomethyl)piperidin-3-yl]phenol
SMILESNCC1CCNCC1c1ccc(O)cc1
InChIInChI=1S/C12H18N2O/c13-7-10-5-6-14-8-12(10)9-1-3-11(15)4-2-9/h1-4,10,12,14-15H,5-8,13H2
InChIKeySROPDNZUZWPQKQ-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

3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
CID 117167997
[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
CID 173046865
[4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
4-[(3S)-3-fluoropiperidin-4-yl]phenol
CID 118225535
4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
CID 82617235
4-[(4-aminopiperidin-3-yl)methyl]phenol
CID 84779211
4-ethyl-3-phenylpiperidine
CID 175022073
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
[3-(4-ethoxyphenyl)piperidin-4-yl]methanol
CID 117000508
4-[3-(aminomethyl)-1,1-dioxothian-4-yl]phenol
CID 84805000
4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-3-yl]phenol?
The IUPAC name of 4-[4-(aminomethyl)piperidin-3-yl]phenol (CID 82610650) is 4-[4-(aminomethyl)piperidin-3-yl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-3-yl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-3-yl]phenol is NCC1CCNCC1c1ccc(O)cc1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-3-yl]phenol?
The InChIKey is SROPDNZUZWPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-7-10-5-6-14-8-12(10)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-(aminomethyl)piperidin-3-yl]phenol?
4-[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 4-[4-(aminomethyl)piperidin-3-yl]phenol is sourced from PubChem (CID 82610650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).