4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid

C19H29N3O3 — CID 141198646

IUPAC4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCN2CCN(c3cccc(CO)c3)CC2)CC1
InChIInChI=1S/C19H29N3O3/c23-15-17-2-1-3-18(14-17)21-12-10-20(11-13-21)7-4-16-5-8-22(9-6-16)19(24)25/h1-3,14,16,23H,4-13,15H2,(H,24,25)
InChIKeyYWHQTEWENPSHSS-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.08
Rot. Bonds5

About 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid

4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid (PubChem CID 141198646) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
PubChem CID141198646
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCN2CCN(c3cccc(CO)c3)CC2)CC1
InChIInChI=1S/C19H29N3O3/c23-15-17-2-1-3-18(14-17)21-12-10-20(11-13-21)7-4-16-5-8-22(9-6-16)19(24)25/h1-3,14,16,23H,4-13,15H2,(H,24,25)
InChIKeyYWHQTEWENPSHSS-UHFFFAOYSA-N
XLogP2.08
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one
CID 142781297
4-[2-[4-(6-methylsulfonyl-3-pyridinyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 141165035
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
3-cyclopropyl-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 72847288
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid (CID 141198646) is 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCN2CCN(c3cccc(CO)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid?
The InChIKey is YWHQTEWENPSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-15-17-2-1-3-18(14-17)21-12-10-20(11-13-21)7-4-16-5-8-22(9-6-16)19(24)25/h1-3,14,16,23H,4-13,15H2,(H,24,25).
What are the key properties of 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid?
4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141198646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).