N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine

C14H30N4 — CID 115230561

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(CNCCCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)13-16-5-2-8-18-11-6-15-7-12-18/h14-16H,2-13H2,1H3
InChIKeyLIWNOGXOVLUXER-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.21
Rot. Bonds6

About N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine

N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine (PubChem CID 115230561) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
PubChem CID115230561
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(CNCCCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)13-16-5-2-8-18-11-6-15-7-12-18/h14-16H,2-13H2,1H3
InChIKeyLIWNOGXOVLUXER-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

3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine (CID 115230561) is N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine is CN1CCC(CNCCCN2CCNCC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine?
The InChIKey is LIWNOGXOVLUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-17-9-3-14(4-10-17)13-16-5-2-8-18-11-6-15-7-12-18/h14-16H,2-13H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine?
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-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 N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115230561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).