4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol

C38H53F2N3O — CID 160905848

IUPAC4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol
SMILESCN1CCC(CF)(c2ccccc2)CC1.CN1CCC(CO)(c2ccccc2)CC1.FCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C13H18FN.C13H19NO.C12H16FN/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12;1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h2-6H,7-11H2,1H3;2-6,15H,7-11H2,1H3;1-5,14H,6-10H2
InChIKeySQCYVAYOENOHHN-UHFFFAOYSA-N
MW605.86 g/mol
LogP6.54
Rot. Bonds6

About 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol

4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol (PubChem CID 160905848) has the molecular formula C38H53F2N3O and a molecular weight of 605.86 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol
PubChem CID160905848
Molecular FormulaC38H53F2N3O
Molecular Weight605.86 g/mol
Exact Mass605.42
IUPAC Name4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol
SMILESCN1CCC(CF)(c2ccccc2)CC1.CN1CCC(CO)(c2ccccc2)CC1.FCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C13H18FN.C13H19NO.C12H16FN/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12;1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h2-6H,7-11H2,1H3;2-6,15H,7-11H2,1H3;1-5,14H,6-10H2
InChIKeySQCYVAYOENOHHN-UHFFFAOYSA-N
XLogP6.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.86
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(4-phenylpiperidin-4-yl)methyl]-1,4-diazepane
CID 63155146
[4-(4-ethoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82087200
N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63155191
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
N-ethyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63154834
4-ethyl-4-phenylpiperidine;formamide
CID 143792302
3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
CID 69035157
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159705164
oxalic acid;[4-phenyl-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 70619039
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol?
The IUPAC name of 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol (CID 160905848) is 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol is CN1CCC(CF)(c2ccccc2)CC1.CN1CCC(CO)(c2ccccc2)CC1.FCC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol?
The InChIKey is SQCYVAYOENOHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.C13H19NO.C12H16FN/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12;1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h2-6H,7-11H2,1H3;2-6,15H,7-11H2,1H3;1-5,14H,6-10H2.
What are the key properties of 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol?
4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol has a molecular weight of 605.86 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol is sourced from PubChem (CID 160905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).