1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C18H27FN2O — CID 70783698

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCc1cc(F)ccc1CN1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C18H27FN2O/c1-15-11-17(19)6-5-16(15)12-21-10-4-7-18(22,14-21)13-20-8-2-3-9-20/h5-6,11,22H,2-4,7-10,12-14H2,1H3
InChIKeyYJYNFLABSJFIHU-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.56
Rot. Bonds4

About 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70783698) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70783698
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCc1cc(F)ccc1CN1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C18H27FN2O/c1-15-11-17(19)6-5-16(15)12-21-10-4-7-18(22,14-21)13-20-8-2-3-9-20/h5-6,11,22H,2-4,7-10,12-14H2,1H3
InChIKeyYJYNFLABSJFIHU-UHFFFAOYSA-N
XLogP2.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70783698) is 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is Cc1cc(F)ccc1CN1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is YJYNFLABSJFIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-15-11-17(19)6-5-16(15)12-21-10-4-7-18(22,14-21)13-20-8-2-3-9-20/h5-6,11,22H,2-4,7-10,12-14H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 306.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70783698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).