N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine

C19H29FN2 — CID 26392696

IUPACN-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
SMILESCN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C1CCC1
InChIInChI=1S/C19H29FN2/c1-21(19-5-2-6-19)14-17-4-3-12-22(15-17)13-11-16-7-9-18(20)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3/t17-/m1/s1
InChIKeyKVTXUAPVDOLSBM-QGZVFWFLSA-N
MW304.45 g/mol
LogP3.56
Rot. Bonds6

About N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine

N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine (PubChem CID 26392696) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
PubChem CID26392696
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC NameN-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
SMILESCN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C1CCC1
InChIInChI=1S/C19H29FN2/c1-21(19-5-2-6-19)14-17-4-3-12-22(15-17)13-11-16-7-9-18(20)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3/t17-/m1/s1
InChIKeyKVTXUAPVDOLSBM-QGZVFWFLSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
CID 23723218
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
N-(1,3-benzodioxol-4-ylmethyl)-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 45182470
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide
CID 97274416
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
2-[[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 97281951

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine?
The IUPAC name of N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine (CID 26392696) is N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine is CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C1CCC1.
What is the InChIKey of N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine?
The InChIKey is KVTXUAPVDOLSBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29FN2/c1-21(19-5-2-6-19)14-17-4-3-12-22(15-17)13-11-16-7-9-18(20)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine?
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine has a molecular weight of 304.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine is sourced from PubChem (CID 26392696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).