N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

C21H27ClN2 — CID 30983457

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1ccc(CCNC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27ClN2/c22-20-8-6-19(7-9-20)10-14-23-21-12-16-24(17-13-21)15-11-18-4-2-1-3-5-18/h1-9,21,23H,10-17H2
InChIKeyHUAFUIWPRMNURT-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 30983457) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID30983457
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1ccc(CCNC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27ClN2/c22-20-8-6-19(7-9-20)10-14-23-21-12-16-24(17-13-21)15-11-18-4-2-1-3-5-18/h1-9,21,23H,10-17H2
InChIKeyHUAFUIWPRMNURT-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
CID 43767026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (CID 30983457) is N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is Clc1ccc(CCNC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is HUAFUIWPRMNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c22-20-8-6-19(7-9-20)10-14-23-21-12-16-24(17-13-21)15-11-18-4-2-1-3-5-18/h1-9,21,23H,10-17H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 342.91 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 30983457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).