1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine

C18H29FN2 — CID 106623207

IUPAC1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CC1CCCCN1)C(CC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-3-13-21(14-17-7-5-6-12-20-17)18(4-2)15-8-10-16(19)11-9-15/h8-11,17-18,20H,3-7,12-14H2,1-2H3
InChIKeyMCNKBUVCJMGZRO-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine

1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine (PubChem CID 106623207) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
PubChem CID106623207
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CC1CCCCN1)C(CC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-3-13-21(14-17-7-5-6-12-20-17)18(4-2)15-8-10-16(19)11-9-15/h8-11,17-18,20H,3-7,12-14H2,1-2H3
InChIKeyMCNKBUVCJMGZRO-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603963
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine (CID 106623207) is 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine is CCCN(CC1CCCCN1)C(CC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
The InChIKey is MCNKBUVCJMGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-13-21(14-17-7-5-6-12-20-17)18(4-2)15-8-10-16(19)11-9-15/h8-11,17-18,20H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine?
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106623207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).