N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

C17H27FN2 — CID 114346179

IUPACN-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(F)ccc1CN1CCCCC1CNC(C)C
InChIInChI=1S/C17H27FN2/c1-13(2)19-11-17-6-4-5-9-20(17)12-15-7-8-16(18)10-14(15)3/h7-8,10,13,17,19H,4-6,9,11-12H2,1-3H3
InChIKeyBIUGMIVGRFTOCQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 114346179) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID114346179
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(F)ccc1CN1CCCCC1CNC(C)C
InChIInChI=1S/C17H27FN2/c1-13(2)19-11-17-6-4-5-9-20(17)12-15-7-8-16(18)10-14(15)3/h7-8,10,13,17,19H,4-6,9,11-12H2,1-3H3
InChIKeyBIUGMIVGRFTOCQ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 105371975
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62579495
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 55256464

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (CID 114346179) is N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is Cc1cc(F)ccc1CN1CCCCC1CNC(C)C.
What is the InChIKey of N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is BIUGMIVGRFTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)19-11-17-6-4-5-9-20(17)12-15-7-8-16(18)10-14(15)3/h7-8,10,13,17,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114346179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).