1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C19H28FN3O2 — CID 111631108

IUPAC1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCN(c2cccc(F)c2)CC1)NC1CCCCC1CO
InChIInChI=1S/C19H28FN3O2/c20-15-5-3-6-17(12-15)23-10-8-16(9-11-23)21-19(25)22-18-7-2-1-4-14(18)13-24/h3,5-6,12,14,16,18,24H,1-2,4,7-11,13H2,(H2,21,22,25)
InChIKeyALZFUPYNVCJMRY-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111631108) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111631108
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCN(c2cccc(F)c2)CC1)NC1CCCCC1CO
InChIInChI=1S/C19H28FN3O2/c20-15-5-3-6-17(12-15)23-10-8-16(9-11-23)21-19(25)22-18-7-2-1-4-14(18)13-24/h3,5-6,12,14,16,18,24H,1-2,4,7-11,13H2,(H2,21,22,25)
InChIKeyALZFUPYNVCJMRY-UHFFFAOYSA-N
XLogP2.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
CID 111437646
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111631108) is 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NC1CCN(c2cccc(F)c2)CC1)NC1CCCCC1CO.
What is the InChIKey of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is ALZFUPYNVCJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-15-5-3-6-17(12-15)23-10-8-16(9-11-23)21-19(25)22-18-7-2-1-4-14(18)13-24/h3,5-6,12,14,16,18,24H,1-2,4,7-11,13H2,(H2,21,22,25).
What are the key properties of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 349.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111631108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).