7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C20H26FNO2 — CID 111520537

IUPAC7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1C2CCCCC21)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FNO2/c21-15-7-5-13(6-8-15)19(23)14-9-11-22(12-10-14)20(24)18-16-3-1-2-4-17(16)18/h5-8,14,16-19,23H,1-4,9-12H2
InChIKeyQKSSPPDKQSLFNJ-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.53
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 111520537) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID111520537
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1C2CCCCC21)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FNO2/c21-15-7-5-13(6-8-15)19(23)14-9-11-22(12-10-14)20(24)18-16-3-1-2-4-17(16)18/h5-8,14,16-19,23H,1-4,9-12H2
InChIKeyQKSSPPDKQSLFNJ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125151598
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124594783
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124594780
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 99805654
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111434256
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 111109463
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 111520537) is 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is O=C(C1C2CCCCC21)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is QKSSPPDKQSLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c21-15-7-5-13(6-8-15)19(23)14-9-11-22(12-10-14)20(24)18-16-3-1-2-4-17(16)18/h5-8,14,16-19,23H,1-4,9-12H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 331.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 111520537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).