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

C18H29FN2 — CID 114832441

IUPAC1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-14(2)21(13-17-8-10-20-11-9-17)15(3)12-16-4-6-18(19)7-5-16/h4-7,14-15,17,20H,8-13H2,1-3H3
InChIKeyCBCIEWLTULWHEY-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.47
Rot. Bonds6

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

1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 114832441) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID114832441
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-14(2)21(13-17-8-10-20-11-9-17)15(3)12-16-4-6-18(19)7-5-16/h4-7,14-15,17,20H,8-13H2,1-3H3
InChIKeyCBCIEWLTULWHEY-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 79715208
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine (CID 114832441) is 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CCNCC1)C(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is CBCIEWLTULWHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14(2)21(13-17-8-10-20-11-9-17)15(3)12-16-4-6-18(19)7-5-16/h4-7,14-15,17,20H,8-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine?
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.47, 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-4-ylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 114832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).