N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C18H25F3N2 — CID 120841490

IUPACN-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1cc(C(F)(F)F)ccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25F3N2/c1-13-10-16(18(19,20)21)5-4-15(13)12-23-8-6-17(7-9-23)22-11-14-2-3-14/h4-5,10,14,17,22H,2-3,6-9,11-12H2,1H3
InChIKeyMSCCPNRZFXRNJO-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.98
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 120841490) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID120841490
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1cc(C(F)(F)F)ccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25F3N2/c1-13-10-16(18(19,20)21)5-4-15(13)12-23-8-6-17(7-9-23)22-11-14-2-3-14/h4-5,10,14,17,22H,2-3,6-9,11-12H2,1H3
InChIKeyMSCCPNRZFXRNJO-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119987410
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
4-fluoro-4-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 138699848
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 120841490) is N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1cc(C(F)(F)F)ccc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is MSCCPNRZFXRNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2/c1-13-10-16(18(19,20)21)5-4-15(13)12-23-8-6-17(7-9-23)22-11-14-2-3-14/h4-5,10,14,17,22H,2-3,6-9,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 326.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 120841490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).