carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane

C25H27N3O2 — CID 160829700

IUPACcarbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane
SMILESC.O=C(N1CCN(c2cccc(CO)c2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C24H23N3O2.CH4/c28-17-18-6-5-7-19(16-18)25-12-14-26(15-13-25)24(29)27-22-10-3-1-8-20(22)21-9-2-4-11-23(21)27;/h1-11,16,28H,12-15,17H2;1H4
InChIKeySGQCZCNDGBENSW-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.71
Rot. Bonds2

About carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane

carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane (PubChem CID 160829700) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane.

Molecular Properties

Compound Namecarbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane
PubChem CID160829700
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Namecarbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane
SMILESC.O=C(N1CCN(c2cccc(CO)c2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C24H23N3O2.CH4/c28-17-18-6-5-7-19(16-18)25-12-14-26(15-13-25)24(29)27-22-10-3-1-8-20(22)21-9-2-4-11-23(21)27;/h1-11,16,28H,12-15,17H2;1H4
InChIKeySGQCZCNDGBENSW-UHFFFAOYSA-N
XLogP4.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
CID 162647463
(3-pyrrolidin-1-ylphenyl)methanol
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4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 141198646
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
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2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
1-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 67205514
3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid
CID 24946221
tert-butyl 4-[3-(bromomethyl)phenyl]piperazine-1-carboxylate
CID 118989347
(2R)-1-carbazol-9-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 26183274

Frequently Asked Questions

What is the IUPAC name of carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane?
The IUPAC name of carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane (CID 160829700) is carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane.
What is the SMILES notation for carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane?
The canonical SMILES for carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane is C.O=C(N1CCN(c2cccc(CO)c2)CC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane?
The InChIKey is SGQCZCNDGBENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.CH4/c28-17-18-6-5-7-19(16-18)25-12-14-26(15-13-25)24(29)27-22-10-3-1-8-20(22)21-9-2-4-11-23(21)27;/h1-11,16,28H,12-15,17H2;1H4.
What are the key properties of carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane?
carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane has a molecular weight of 401.51 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane is sourced from PubChem (CID 160829700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).