2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol

C20H32N2O2 — CID 99702928

IUPAC2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
SMILESCC[C@@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O
InChIInChI=1S/C20H32N2O2/c1-2-17(16-7-3-5-9-19(16)23)21-15-11-13-22(14-12-15)18-8-4-6-10-20(18)24/h3,5,7,9,15,17-18,20-21,23-24H,2,4,6,8,10-14H2,1H3/t17-,18+,20+/m1/s1
InChIKeyROCXAIJDYGTRRQ-HBFSDRIKSA-N
MW332.49 g/mol
LogP3.20
Rot. Bonds5

About 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol

2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol (PubChem CID 99702928) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
PubChem CID99702928
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
SMILESCC[C@@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O
InChIInChI=1S/C20H32N2O2/c1-2-17(16-7-3-5-9-19(16)23)21-15-11-13-22(14-12-15)18-8-4-6-10-20(18)24/h3,5,7,9,15,17-18,20-21,23-24H,2,4,6,8,10-14H2,1H3/t17-,18+,20+/m1/s1
InChIKeyROCXAIJDYGTRRQ-HBFSDRIKSA-N
XLogP3.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol with MolForge

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Related Compounds

2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]phenol
CID 23647921
(R)-2-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 46890321
N,N'-Bis-(2-hydroxybenzyl)-hexamethylenediamine
CID 1957305
2-[[3-[(2-Hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 2283723
2-[(4-Aminopiperidin-1-yl)methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 145949455
2-Cyclohexylaminomethyl-phenol
CID 408357
N,N'-Dodecamethylenebis(2-hydroxybenzylamine)
CID 4535168
Ethanol, 2-[(2-hydroxy-3-phenylbenzyl)amino]-
CID 223211
Phenol, 2,2'-[1,4-butanediylbis(iminomethylene)]bis-
CID 12049163
2-[[5-[(2-Hydroxyphenyl)methylamino]pentylamino]methyl]phenol
CID 16078837

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol?
The IUPAC name of 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol (CID 99702928) is 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol.
What is the SMILES notation for 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol?
The canonical SMILES for 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol is CC[C@@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O.
What is the InChIKey of 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol?
The InChIKey is ROCXAIJDYGTRRQ-HBFSDRIKSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-17(16-7-3-5-9-19(16)23)21-15-11-13-22(14-12-15)18-8-4-6-10-20(18)24/h3,5,7,9,15,17-18,20-21,23-24H,2,4,6,8,10-14H2,1H3/t17-,18+,20+/m1/s1.
What are the key properties of 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol?
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol has a molecular weight of 332.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol is sourced from PubChem (CID 99702928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).