[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H31N3O — CID 10023270

IUPAC[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3
InChIKeyZSXGHSBBKRVVCX-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.69
Rot. Bonds6

About [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 10023270) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID10023270
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3
InChIKeyZSXGHSBBKRVVCX-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 10023270) is [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CCN(CC)Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZSXGHSBBKRVVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3.
What are the key properties of [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 317.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 10023270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).