[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol

C14H22N2O — CID 82243271

IUPAC[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CN(CCc2ccccc2)CCCN1
InChIInChI=1S/C14H22N2O/c17-12-14-11-16(9-4-8-15-14)10-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyLINSCTRLRHBNQZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.89
Rot. Bonds4

About [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol

[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol (PubChem CID 82243271) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
PubChem CID82243271
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CN(CCc2ccccc2)CCCN1
InChIInChI=1S/C14H22N2O/c17-12-14-11-16(9-4-8-15-14)10-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyLINSCTRLRHBNQZ-UHFFFAOYSA-N
XLogP0.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
CID 83730119
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane
CID 64945183
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol
CID 82243970
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
3-benzyl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519152
3-benzyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458848
3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol?
The IUPAC name of [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol (CID 82243271) is [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol.
What is the SMILES notation for [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol?
The canonical SMILES for [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol is OCC1CN(CCc2ccccc2)CCCN1.
What is the InChIKey of [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol?
The InChIKey is LINSCTRLRHBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-12-14-11-16(9-4-8-15-14)10-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2.
What are the key properties of [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol?
[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol is sourced from PubChem (CID 82243271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).