N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine

C14H20F2N2 — CID 113260030

IUPACN-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2/c1-10-9-18(2)4-3-14(10)17-8-11-5-12(15)7-13(16)6-11/h5-7,10,14,17H,3-4,8-9H2,1-2H3
InChIKeyMBASNFKEGLIVIZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.39
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine

N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 113260030) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID113260030
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2/c1-10-9-18(2)4-3-14(10)17-8-11-5-12(15)7-13(16)6-11/h5-7,10,14,17H,3-4,8-9H2,1-2H3
InChIKeyMBASNFKEGLIVIZ-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115716425
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 114503453
2-[4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 115889357
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115712436
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 114503443
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 115716903
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136929322
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine (CID 113260030) is N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is MBASNFKEGLIVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-9-18(2)4-3-14(10)17-8-11-5-12(15)7-13(16)6-11/h5-7,10,14,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 113260030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).