1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H24ClFN2 — CID 120782066

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(CN2CCC(N)C(C)(C)C2)cc1F.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-11-4-5-12(8-13(11)16)9-18-7-6-14(17)15(2,3)10-18;/h4-5,8,14H,6-7,9-10,17H2,1-3H3;1H
InChIKeyKBQUEBQYCLFNFN-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.12
Rot. Bonds2

About 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782066) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782066
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(CN2CCC(N)C(C)(C)C2)cc1F.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-11-4-5-12(8-13(11)16)9-18-7-6-14(17)15(2,3)10-18;/h4-5,8,14H,6-7,9-10,17H2,1-3H3;1H
InChIKeyKBQUEBQYCLFNFN-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774951
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782066) is 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is Cc1ccc(CN2CCC(N)C(C)(C)C2)cc1F.Cl.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is KBQUEBQYCLFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.ClH/c1-11-4-5-12(8-13(11)16)9-18-7-6-14(17)15(2,3)10-18;/h4-5,8,14H,6-7,9-10,17H2,1-3H3;1H.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).