1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine

C17H34N4 — CID 167265160

IUPAC1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
SMILESCN1CCC(N2CCN(CC[C@@H]3CCN(C)C3)CC2)CC1
InChIInChI=1S/C17H34N4/c1-18-8-5-17(6-9-18)21-13-11-20(12-14-21)10-4-16-3-7-19(2)15-16/h16-17H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyDGKGJZLHNRDKGS-INIZCTEOSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine

1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine (PubChem CID 167265160) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
PubChem CID167265160
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
SMILESCN1CCC(N2CCN(CC[C@@H]3CCN(C)C3)CC2)CC1
InChIInChI=1S/C17H34N4/c1-18-8-5-17(6-9-18)21-13-11-20(12-14-21)10-4-16-3-7-19(2)15-16/h16-17H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyDGKGJZLHNRDKGS-INIZCTEOSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 166946013
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine (CID 167265160) is 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine is CN1CCC(N2CCN(CC[C@@H]3CCN(C)C3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine?
The InChIKey is DGKGJZLHNRDKGS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34N4/c1-18-8-5-17(6-9-18)21-13-11-20(12-14-21)10-4-16-3-7-19(2)15-16/h16-17H,3-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine has a molecular weight of 294.49 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine is sourced from PubChem (CID 167265160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).