(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine

C20H24F2N2O2 — CID 25370484

IUPAC(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1OC
InChIInChI=1S/C20H24F2N2O2/c1-25-19-8-5-14(10-20(19)26-2)12-24-9-3-4-16(13-24)23-15-6-7-17(21)18(22)11-15/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeySRTAAKJZWIGKMQ-MRXNPFEDSA-N
MW362.42 g/mol
LogP4.06
Rot. Bonds6

About (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine

(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine (PubChem CID 25370484) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
PubChem CID25370484
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1OC
InChIInChI=1S/C20H24F2N2O2/c1-25-19-8-5-14(10-20(19)26-2)12-24-9-3-4-16(13-24)23-15-6-7-17(21)18(22)11-15/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeySRTAAKJZWIGKMQ-MRXNPFEDSA-N
XLogP4.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25381174
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
1-[3-[[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenyl]ethanone
CID 25381608
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
(3R)-N-(3,4-difluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine
CID 26320088
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 25378499
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine (CID 25370484) is (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine is COc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1OC.
What is the InChIKey of (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is SRTAAKJZWIGKMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-25-19-8-5-14(10-20(19)26-2)12-24-9-3-4-16(13-24)23-15-6-7-17(21)18(22)11-15/h5-8,10-11,16,23H,3-4,9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine?
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 362.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 25370484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).