2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine

C15H32N4 — CID 79708398

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCC2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2,19-10-8-18(3)9-11-19)13-17-12-14-4-6-16-7-5-14/h14,16-17H,4-13H2,1-3H3
InChIKeyIBHFWOPMZAJJPA-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.60
Rot. Bonds5

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79708398) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79708398
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCC2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2,19-10-8-18(3)9-11-19)13-17-12-14-4-6-16-7-5-14/h14,16-17H,4-13H2,1-3H3
InChIKeyIBHFWOPMZAJJPA-UHFFFAOYSA-N
XLogP0.60
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43207756
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 114098823
2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]pentan-2-ol
CID 106291066
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine
CID 28728916
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
(2R)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperidine-2-carboxamide
CID 104913679
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79708398) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine is CN1CCN(C(C)(C)CNCC2CCNCC2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is IBHFWOPMZAJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2,19-10-8-18(3)9-11-19)13-17-12-14-4-6-16-7-5-14/h14,16-17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).