N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C17H26ClFN2 — CID 106622086

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H26ClFN2/c1-12(2)21(11-15-6-4-5-9-20-15)13(3)16-8-7-14(19)10-17(16)18/h7-8,10,12-13,15,20H,4-6,9,11H2,1-3H3
InChIKeyFCJDCEZMLIADBV-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106622086) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106622086
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H26ClFN2/c1-12(2)21(11-15-6-4-5-9-20-15)13(3)16-8-7-14(19)10-17(16)18/h7-8,10,12-13,15,20H,4-6,9,11H2,1-3H3
InChIKeyFCJDCEZMLIADBV-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
4-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 106602925
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
N-[1-(2-ethoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602862

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106622086) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(CC1CCCCN1)C(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is FCJDCEZMLIADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-12(2)21(11-15-6-4-5-9-20-15)13(3)16-8-7-14(19)10-17(16)18/h7-8,10,12-13,15,20H,4-6,9,11H2,1-3H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 312.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106622086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).