N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine

C16H25FN2 — CID 63133387

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C16H25FN2/c1-3-16(9-4-10-18-12-16)13-19(2)11-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyCBLMQZLDPFRAEM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine

N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 63133387) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID63133387
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCC1(CN(C)Cc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C16H25FN2/c1-3-16(9-4-10-18-12-16)13-19(2)11-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyCBLMQZLDPFRAEM-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (CID 63133387) is N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is CCC1(CN(C)Cc2ccc(F)cc2)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is CBLMQZLDPFRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(9-4-10-18-12-16)13-19(2)11-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63133387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).