(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

C18H27N3O — CID 15310636

IUPAC(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-19-11-13-21(14-12-19)18(22)17-7-5-16(6-8-17)15-20-9-3-2-4-10-20/h5-8H,2-4,9-15H2,1H3
InChIKeyDRYMTQWCHGWWOV-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.06
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 15310636) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID15310636
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-19-11-13-21(14-12-19)18(22)17-7-5-16(6-8-17)15-20-9-3-2-4-10-20/h5-8H,2-4,9-15H2,1H3
InChIKeyDRYMTQWCHGWWOV-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (CID 15310636) is (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is DRYMTQWCHGWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-11-13-21(14-12-19)18(22)17-7-5-16(6-8-17)15-20-9-3-2-4-10-20/h5-8H,2-4,9-15H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 301.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 15310636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).