[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine

C17H28N4 — CID 5297747

IUPAC[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-9-7-17(15-18,8-10-19)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-6H,7-15,18H2,1H3
InChIKeyBSFDQZRAPFJXQW-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.23
Rot. Bonds3

About [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine

[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine (PubChem CID 5297747) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine
PubChem CID5297747
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-9-7-17(15-18,8-10-19)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-6H,7-15,18H2,1H3
InChIKeyBSFDQZRAPFJXQW-UHFFFAOYSA-N
XLogP1.23
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine (CID 5297747) is [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine is CN1CCC(CN)(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine?
The InChIKey is BSFDQZRAPFJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-9-7-17(15-18,8-10-19)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-6H,7-15,18H2,1H3.
What are the key properties of [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine?
[1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(4-phenylpiperazin-1-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 5297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).