(1-butylazepan-4-yl)-diphenylmethanol

C23H31NO — CID 21135914

IUPAC(1-butylazepan-4-yl)-diphenylmethanol
SMILESCCCCN1CCCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31NO/c1-2-3-17-24-18-10-15-22(16-19-24)23(25,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22,25H,2-3,10,15-19H2,1H3
InChIKeyBLIPUGBLBKVPOO-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.82
Rot. Bonds6

About (1-butylazepan-4-yl)-diphenylmethanol

(1-butylazepan-4-yl)-diphenylmethanol (PubChem CID 21135914) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (1-butylazepan-4-yl)-diphenylmethanol.

Molecular Properties

Compound Name(1-butylazepan-4-yl)-diphenylmethanol
PubChem CID21135914
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(1-butylazepan-4-yl)-diphenylmethanol
SMILESCCCCN1CCCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31NO/c1-2-3-17-24-18-10-15-22(16-19-24)23(25,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22,25H,2-3,10,15-19H2,1H3
InChIKeyBLIPUGBLBKVPOO-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-ethyl 5-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pentanethioate
CID 139675543
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 141172906
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 118322614
1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;ethane
CID 143205011
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 139814217
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737

Frequently Asked Questions

What is the IUPAC name of (1-butylazepan-4-yl)-diphenylmethanol?
The IUPAC name of (1-butylazepan-4-yl)-diphenylmethanol (CID 21135914) is (1-butylazepan-4-yl)-diphenylmethanol.
What is the SMILES notation for (1-butylazepan-4-yl)-diphenylmethanol?
The canonical SMILES for (1-butylazepan-4-yl)-diphenylmethanol is CCCCN1CCCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-butylazepan-4-yl)-diphenylmethanol?
The InChIKey is BLIPUGBLBKVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-17-24-18-10-15-22(16-19-24)23(25,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22,25H,2-3,10,15-19H2,1H3.
What are the key properties of (1-butylazepan-4-yl)-diphenylmethanol?
(1-butylazepan-4-yl)-diphenylmethanol has a molecular weight of 337.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylazepan-4-yl)-diphenylmethanol is sourced from PubChem (CID 21135914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).