1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine

C16H25FN2 — CID 54866682

IUPAC1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,3)19-10-8-14(9-11-19)18-12-13-6-4-5-7-15(13)17/h4-7,14,18H,8-12H2,1-3H3
InChIKeyDIQMTPNDJMXYQD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds3

About 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine

1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 54866682) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
PubChem CID54866682
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,3)19-10-8-14(9-11-19)18-12-13-6-4-5-7-15(13)17/h4-7,14,18H,8-12H2,1-3H3
InChIKeyDIQMTPNDJMXYQD-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
CID 62340584
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
CID 54866594
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine (CID 54866682) is 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine is CC(C)(C)N1CCC(NCc2ccccc2F)CC1.
What is the InChIKey of 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is DIQMTPNDJMXYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,3)19-10-8-14(9-11-19)18-12-13-6-4-5-7-15(13)17/h4-7,14,18H,8-12H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 54866682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).