N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine

C16H23Cl3N2 — CID 58624363

IUPACN-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1c(Cl)ccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H23Cl3N2/c1-11(2)9-21(12-5-7-20-8-6-12)10-13-14(17)3-4-15(18)16(13)19/h3-4,11-12,20H,5-10H2,1-2H3
InChIKeyFRSABIYIURVDOF-UHFFFAOYSA-N
MW349.73 g/mol
LogP4.86
Rot. Bonds5

About N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine

N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine (PubChem CID 58624363) has the molecular formula C16H23Cl3N2 and a molecular weight of 349.73 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine
PubChem CID58624363
Molecular FormulaC16H23Cl3N2
Molecular Weight349.73 g/mol
Exact Mass348.09
IUPAC NameN-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1c(Cl)ccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H23Cl3N2/c1-11(2)9-21(12-5-7-20-8-6-12)10-13-14(17)3-4-15(18)16(13)19/h3-4,11-12,20H,5-10H2,1-2H3
InChIKeyFRSABIYIURVDOF-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 161190083
N-(2-methylpropyl)-N-[(2-phenylphenyl)methyl]piperidin-4-amine
CID 58624386
(3S)-N-[(2,3-dichlorophenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69063709
N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
CID 58624394
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
(E)-but-2-enedioic acid;N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 68574574
but-2-enedioic acid;N-[(2,4-dichloro-1,3-thiazol-5-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 68575218
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
(3R)-N-[(2-chloro-3-methylphenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;2,3-dihydroxybutanedioic acid
CID 69063680
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine (CID 58624363) is N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine is CC(C)CN(Cc1c(Cl)ccc(Cl)c1Cl)C1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is FRSABIYIURVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl3N2/c1-11(2)9-21(12-5-7-20-8-6-12)10-13-14(17)3-4-15(18)16(13)19/h3-4,11-12,20H,5-10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine?
N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 349.73 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 58624363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).