3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine

C14H30N4 — CID 79707878

IUPAC3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-11-18(12-10-17)8-2-5-16-13-14-3-6-15-7-4-14/h14-16H,2-13H2,1H3
InChIKeyUQPYUMAEXPAFGY-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.21
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine

3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79707878) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79707878
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-11-18(12-10-17)8-2-5-16-13-14-3-6-15-7-4-14/h14-16H,2-13H2,1H3
InChIKeyUQPYUMAEXPAFGY-UHFFFAOYSA-N
XLogP0.21
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
CID 177055250
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79707878) is 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine is CN1CCN(CCCNCC2CCNCC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is UQPYUMAEXPAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-17-9-11-18(12-10-17)8-2-5-16-13-14-3-6-15-7-4-14/h14-16H,2-13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79707878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).