2-benzhydrylpiperidin-3-ol;butanedioate

C22H25NO5-2 — CID 21128015

IUPAC2-benzhydrylpiperidin-3-ol;butanedioate
SMILESO=C([O-])CCC(=O)[O-].OC1CCCNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO.C4H6O4/c20-16-12-7-13-19-18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;5-3(6)1-2-4(7)8/h1-6,8-11,16-20H,7,12-13H2;1-2H2,(H,5,6)(H,7,8)/p-2
InChIKeySSABUJNOBXZRQM-UHFFFAOYSA-L
MW383.44 g/mol
LogP0.20
Rot. Bonds6

About 2-benzhydrylpiperidin-3-ol;butanedioate

2-benzhydrylpiperidin-3-ol;butanedioate (PubChem CID 21128015) has the molecular formula C22H25NO5-2 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-benzhydrylpiperidin-3-ol;butanedioate.

Molecular Properties

Compound Name2-benzhydrylpiperidin-3-ol;butanedioate
PubChem CID21128015
Molecular FormulaC22H25NO5-2
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-benzhydrylpiperidin-3-ol;butanedioate
SMILESO=C([O-])CCC(=O)[O-].OC1CCCNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO.C4H6O4/c20-16-12-7-13-19-18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;5-3(6)1-2-4(7)8/h1-6,8-11,16-20H,7,12-13H2;1-2H2,(H,5,6)(H,7,8)/p-2
InChIKeySSABUJNOBXZRQM-UHFFFAOYSA-L
XLogP0.20
TPSA112.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-2-(piperidin-2-ylmethoxy)acetic acid
CID 83212320
cumene;pyrrolidin-2-ylmethanol
CID 142237933
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CID 106607603
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
N-methyl-N-(2-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316587
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
2-ethoxy-N-(2-methylpiperidin-3-yl)-2-phenylacetamide
CID 120573497
N-(2-phenoxy-1-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 119779882

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylpiperidin-3-ol;butanedioate?
The IUPAC name of 2-benzhydrylpiperidin-3-ol;butanedioate (CID 21128015) is 2-benzhydrylpiperidin-3-ol;butanedioate.
What is the SMILES notation for 2-benzhydrylpiperidin-3-ol;butanedioate?
The canonical SMILES for 2-benzhydrylpiperidin-3-ol;butanedioate is O=C([O-])CCC(=O)[O-].OC1CCCNC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylpiperidin-3-ol;butanedioate?
The InChIKey is SSABUJNOBXZRQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H21NO.C4H6O4/c20-16-12-7-13-19-18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;5-3(6)1-2-4(7)8/h1-6,8-11,16-20H,7,12-13H2;1-2H2,(H,5,6)(H,7,8)/p-2.
What are the key properties of 2-benzhydrylpiperidin-3-ol;butanedioate?
2-benzhydrylpiperidin-3-ol;butanedioate has a molecular weight of 383.44 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylpiperidin-3-ol;butanedioate is sourced from PubChem (CID 21128015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).