N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 79708298

IUPACN-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-19(10-11-6-8-18-9-7-11)13-4-2-12(3-5-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyYCRVMOCXCNUTBG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79708298) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79708298
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-19(10-11-6-8-18-9-7-11)13-4-2-12(3-5-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyYCRVMOCXCNUTBG-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
N,N-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 139711377
N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride
CID 120849563
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
1-cyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)pyrrolidin-3-amine
CID 79707522

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 79708298) is N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is CN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YCRVMOCXCNUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-19(10-11-6-8-18-9-7-11)13-4-2-12(3-5-13)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79708298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).