N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine

C14H30N4 — CID 177055250

IUPACN-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-15-5-2-8-17-9-11-18(12-10-17)13-14-3-6-16-7-4-14/h14-16H,2-13H2,1H3
InChIKeyZAPSRKXWKRZWJD-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.21
Rot. Bonds6

About N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine

N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine (PubChem CID 177055250) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
PubChem CID177055250
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-15-5-2-8-17-9-11-18(12-10-17)13-14-3-6-16-7-4-14/h14-16H,2-13H2,1H3
InChIKeyZAPSRKXWKRZWJD-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

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
3-(1,4-diazepan-1-yl)-N-methylpropan-1-amine;ethane;molecular hydrogen
CID 142021934
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine (CID 177055250) is N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine is CNCCCN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is ZAPSRKXWKRZWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-15-5-2-8-17-9-11-18(12-10-17)13-14-3-6-16-7-4-14/h14-16H,2-13H2,1H3.
What are the key properties of N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine?
N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]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 N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 177055250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).