N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine

C16H23F3N2O — CID 171620346

IUPACN-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1ccc(C(F)(F)F)cc1CNCC1CCNCC1
InChIInChI=1S/C16H23F3N2O/c1-2-22-15-4-3-14(16(17,18)19)9-13(15)11-21-10-12-5-7-20-8-6-12/h3-4,9,12,20-21H,2,5-8,10-11H2,1H3
InChIKeyVBDZXXOQDQUEPU-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.19
Rot. Bonds6

About N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine

N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 171620346) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID171620346
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1ccc(C(F)(F)F)cc1CNCC1CCNCC1
InChIInChI=1S/C16H23F3N2O/c1-2-22-15-4-3-14(16(17,18)19)9-13(15)11-21-10-12-5-7-20-8-6-12/h3-4,9,12,20-21H,2,5-8,10-11H2,1H3
InChIKeyVBDZXXOQDQUEPU-UHFFFAOYSA-N
XLogP3.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine (CID 171620346) is N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine is CCOc1ccc(C(F)(F)F)cc1CNCC1CCNCC1.
What is the InChIKey of N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is VBDZXXOQDQUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-2-22-15-4-3-14(16(17,18)19)9-13(15)11-21-10-12-5-7-20-8-6-12/h3-4,9,12,20-21H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine?
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 316.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 171620346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).