[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone

C14H28N4O — CID 55178611

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCC(CN(C)C)CC2)CN1
InChIInChI=1S/C14H28N4O/c1-11-8-16-13(9-15-11)14(19)18-6-4-12(5-7-18)10-17(2)3/h11-13,15-16H,4-10H2,1-3H3
InChIKeyVSHGYOSGMOFDMW-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.26
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone (PubChem CID 55178611) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
PubChem CID55178611
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CCC(CN(C)C)CC2)CN1
InChIInChI=1S/C14H28N4O/c1-11-8-16-13(9-15-11)14(19)18-6-4-12(5-7-18)10-17(2)3/h11-13,15-16H,4-10H2,1-3H3
InChIKeyVSHGYOSGMOFDMW-UHFFFAOYSA-N
XLogP-0.26
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone (CID 55178611) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CCC(CN(C)C)CC2)CN1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The InChIKey is VSHGYOSGMOFDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11-8-16-13(9-15-11)14(19)18-6-4-12(5-7-18)10-17(2)3/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 55178611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).