3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride

C12H19ClN2O — CID 171314082

IUPAC3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C12H18N2O.ClH/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(15)8-10;/h1-3,8-9,12,14-15H,4-7,13H2;1H/t12-;/m1./s1
InChIKeyUSJVEVYSFOIJBF-UTONKHPSSA-N
MW242.75 g/mol
LogP1.81
Rot. Bonds2

About 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride

3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride (PubChem CID 171314082) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
PubChem CID171314082
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1cccc(O)c1)C1CCNCC1
InChIInChI=1S/C12H18N2O.ClH/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(15)8-10;/h1-3,8-9,12,14-15H,4-7,13H2;1H/t12-;/m1./s1
InChIKeyUSJVEVYSFOIJBF-UTONKHPSSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314167
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
CID 171314060
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride (CID 171314082) is 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride is Cl.N[C@@H](c1cccc(O)c1)C1CCNCC1.
What is the InChIKey of 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride?
The InChIKey is USJVEVYSFOIJBF-UTONKHPSSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(15)8-10;/h1-3,8-9,12,14-15H,4-7,13H2;1H/t12-;/m1./s1.
What are the key properties of 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride?
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171314082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).