1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine

C18H29FN2 — CID 106623943

IUPAC1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(c1ccc(F)cc1)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H29FN2/c1-4-18(16-7-9-17(19)10-8-16)21(14(2)3)13-15-6-5-11-20-12-15/h7-10,14-15,18,20H,4-6,11-13H2,1-3H3
InChIKeyOWTAPKUYWVVIMI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine

1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106623943) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID106623943
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(c1ccc(F)cc1)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H29FN2/c1-4-18(16-7-9-17(19)10-8-16)21(14(2)3)13-15-6-5-11-20-12-15/h7-10,14-15,18,20H,4-6,11-13H2,1-3H3
InChIKeyOWTAPKUYWVVIMI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
N-ethyl-1-(4-ethylphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106624693
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 106623943) is 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine is CCC(c1ccc(F)cc1)N(CC1CCCNC1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OWTAPKUYWVVIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-18(16-7-9-17(19)10-8-16)21(14(2)3)13-15-6-5-11-20-12-15/h7-10,14-15,18,20H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 6 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-3-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106623943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).