N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine

C16H23F3N2 — CID 62585621

IUPACN-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-2-9-20-11-13-6-5-10-21(12-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyCSROSLTXCCSZKI-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.92
Rot. Bonds5

About N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine

N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 62585621) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID62585621
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-2-9-20-11-13-6-5-10-21(12-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3
InChIKeyCSROSLTXCCSZKI-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513094
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
CID 65483428
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
N-[[(3R)-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 95187085

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine (CID 62585621) is N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is CSROSLTXCCSZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-9-20-11-13-6-5-10-21(12-13)15-8-4-3-7-14(15)16(17,18)19/h3-4,7-8,13,20H,2,5-6,9-12H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62585621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).