1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide

C20H33N3O2 — CID 145013374

IUPAC1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide
SMILESCCN1CCCCC1.CN1CCC(O)(c2ccccc2)C(NC=O)C1
InChIInChI=1S/C13H18N2O2.C7H15N/c1-15-8-7-13(17,12(9-15)14-10-16)11-5-3-2-4-6-11;1-2-8-6-4-3-5-7-8/h2-6,10,12,17H,7-9H2,1H3,(H,14,16);2-7H2,1H3
InChIKeyXOESUZJBMKWHNV-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.82
Rot. Bonds4

About 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide

1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide (PubChem CID 145013374) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide.

Molecular Properties

Compound Name1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide
PubChem CID145013374
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide
SMILESCCN1CCCCC1.CN1CCC(O)(c2ccccc2)C(NC=O)C1
InChIInChI=1S/C13H18N2O2.C7H15N/c1-15-8-7-13(17,12(9-15)14-10-16)11-5-3-2-4-6-11;1-2-8-6-4-3-5-7-8/h2-6,10,12,17H,7-9H2,1H3,(H,14,16);2-7H2,1H3
InChIKeyXOESUZJBMKWHNV-UHFFFAOYSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-1-phenylmethanesulfonamide
CID 21327224
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 13469603
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 54168039
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol
CID 125493739
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 71932300

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide?
The IUPAC name of 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide (CID 145013374) is 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide.
What is the SMILES notation for 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide?
The canonical SMILES for 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide is CCN1CCCCC1.CN1CCC(O)(c2ccccc2)C(NC=O)C1.
What is the InChIKey of 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide?
The InChIKey is XOESUZJBMKWHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C7H15N/c1-15-8-7-13(17,12(9-15)14-10-16)11-5-3-2-4-6-11;1-2-8-6-4-3-5-7-8/h2-6,10,12,17H,7-9H2,1H3,(H,14,16);2-7H2,1H3.
What are the key properties of 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide?
1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide has a molecular weight of 347.50 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)formamide is sourced from PubChem (CID 145013374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).