4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol

C12H17ClN2O — CID 171314242

IUPAC4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
SMILESN[C@@H](c1ccc(O)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-10-7-9(1-2-11(10)16)12(14)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6,14H2/t12-/m1/s1
InChIKeyDINYQULXZVLEEE-GFCCVEGCSA-N
MW240.73 g/mol
LogP2.05
Rot. Bonds2

About 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol

4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol (PubChem CID 171314242) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
PubChem CID171314242
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
SMILESN[C@@H](c1ccc(O)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-10-7-9(1-2-11(10)16)12(14)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6,14H2/t12-/m1/s1
InChIKeyDINYQULXZVLEEE-GFCCVEGCSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
CID 171314179
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol?
The IUPAC name of 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol (CID 171314242) is 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol.
What is the SMILES notation for 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol?
The canonical SMILES for 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol is N[C@@H](c1ccc(O)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol?
The InChIKey is DINYQULXZVLEEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-7-9(1-2-11(10)16)12(14)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6,14H2/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol?
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol has a molecular weight of 240.73 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol is sourced from PubChem (CID 171314242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).