N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine

C16H21Cl2FN2 — CID 58624333

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine
SMILESFC1(CN(Cc2ccc(Cl)cc2Cl)C2CCNCC2)CC1
InChIInChI=1S/C16H21Cl2FN2/c17-13-2-1-12(15(18)9-13)10-21(11-16(19)5-6-16)14-3-7-20-8-4-14/h1-2,9,14,20H,3-8,10-11H2
InChIKeyYSHMDNMSRHOGJC-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.05
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine

N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine (PubChem CID 58624333) has the molecular formula C16H21Cl2FN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine
PubChem CID58624333
Molecular FormulaC16H21Cl2FN2
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine
SMILESFC1(CN(Cc2ccc(Cl)cc2Cl)C2CCNCC2)CC1
InChIInChI=1S/C16H21Cl2FN2/c17-13-2-1-12(15(18)9-13)10-21(11-16(19)5-6-16)14-3-7-20-8-4-14/h1-2,9,14,20H,3-8,10-11H2
InChIKeyYSHMDNMSRHOGJC-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
(3S)-N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 11153118
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
CID 10223070
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-4-amine
CID 79579986
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine
CID 11623824
N-[(2,4-dichlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233028

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine (CID 58624333) is N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine is FC1(CN(Cc2ccc(Cl)cc2Cl)C2CCNCC2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine?
The InChIKey is YSHMDNMSRHOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2FN2/c17-13-2-1-12(15(18)9-13)10-21(11-16(19)5-6-16)14-3-7-20-8-4-14/h1-2,9,14,20H,3-8,10-11H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine?
N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine has a molecular weight of 331.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine is sourced from PubChem (CID 58624333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).