1-benzhydryl-4-phenyl-4-propoxypiperidine

C27H31NO — CID 10317947

IUPAC1-benzhydryl-4-phenyl-4-propoxypiperidine
SMILESCCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31NO/c1-2-22-29-27(25-16-10-5-11-17-25)18-20-28(21-19-27)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
InChIKeyRCNHZINTASPDKK-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.19
Rot. Bonds7

About 1-benzhydryl-4-phenyl-4-propoxypiperidine

1-benzhydryl-4-phenyl-4-propoxypiperidine (PubChem CID 10317947) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-benzhydryl-4-phenyl-4-propoxypiperidine.

Molecular Properties

Compound Name1-benzhydryl-4-phenyl-4-propoxypiperidine
PubChem CID10317947
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name1-benzhydryl-4-phenyl-4-propoxypiperidine
SMILESCCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31NO/c1-2-22-29-27(25-16-10-5-11-17-25)18-20-28(21-19-27)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
InChIKeyRCNHZINTASPDKK-UHFFFAOYSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propoxycyclobutyl)benzene
CID 57027852
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
CID 21395249
1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
3-(4-phenyl-4-propoxypiperidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 173455258
N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 10388887
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-butylpiperazine
CID 13416419
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
1-benzhydryl-4-methylpiperazine
CID 6726
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-phenyl-4-propoxypiperidine?
The IUPAC name of 1-benzhydryl-4-phenyl-4-propoxypiperidine (CID 10317947) is 1-benzhydryl-4-phenyl-4-propoxypiperidine.
What is the SMILES notation for 1-benzhydryl-4-phenyl-4-propoxypiperidine?
The canonical SMILES for 1-benzhydryl-4-phenyl-4-propoxypiperidine is CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-phenyl-4-propoxypiperidine?
The InChIKey is RCNHZINTASPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-2-22-29-27(25-16-10-5-11-17-25)18-20-28(21-19-27)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3.
What are the key properties of 1-benzhydryl-4-phenyl-4-propoxypiperidine?
1-benzhydryl-4-phenyl-4-propoxypiperidine has a molecular weight of 385.55 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-phenyl-4-propoxypiperidine is sourced from PubChem (CID 10317947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).