(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol

C15H24N2O2 — CID 107223590

IUPAC(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCN(CCO)CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-13(19)14-3-5-15(6-4-14)17-8-2-7-16(9-10-17)11-12-18/h3-6,13,18-19H,2,7-12H2,1H3/t13-/m0/s1
InChIKeyMNFKBLFRGDIKKY-ZDUSSCGKSA-N
MW264.37 g/mol
LogP1.24
Rot. Bonds4

About (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol

(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol (PubChem CID 107223590) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
PubChem CID107223590
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCN(CCO)CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-13(19)14-3-5-15(6-4-14)17-8-2-7-16(9-10-17)11-12-18/h3-6,13,18-19H,2,7-12H2,1H3/t13-/m0/s1
InChIKeyMNFKBLFRGDIKKY-ZDUSSCGKSA-N
XLogP1.24
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylbenzenesulfonamide
CID 63310106
2-[4-(3-amino-4-methylphenyl)-1,4-diazepan-1-yl]ethanol
CID 107213976
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223259
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 155198588

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol (CID 107223590) is (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(N2CCCN(CCO)CC2)cc1.
What is the InChIKey of (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol?
The InChIKey is MNFKBLFRGDIKKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(19)14-3-5-15(6-4-14)17-8-2-7-16(9-10-17)11-12-18/h3-6,13,18-19H,2,7-12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol?
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol is sourced from PubChem (CID 107223590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).