1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C18H36N4 — CID 120901550

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(CC3(C)CCNC3)CC2)CC1
InChIInChI=1S/C18H36N4/c1-16(2)21-8-4-17(5-9-21)22-12-10-20(11-13-22)15-18(3)6-7-19-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyZXDIXXDYJCHNPM-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.48
Rot. Bonds4

About 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 120901550) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID120901550
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(CC3(C)CCNC3)CC2)CC1
InChIInChI=1S/C18H36N4/c1-16(2)21-8-4-17(5-9-21)22-12-10-20(11-13-22)15-18(3)6-7-19-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyZXDIXXDYJCHNPM-UHFFFAOYSA-N
XLogP1.48
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122830
1-[(3-methylpiperidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
CID 63133164
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 176568917
2-[(3-methylpiperidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943261
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 156836053
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 120901550) is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC(C)N1CCC(N2CCN(CC3(C)CCNC3)CC2)CC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is ZXDIXXDYJCHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-16(2)21-8-4-17(5-9-21)22-12-10-20(11-13-22)15-18(3)6-7-19-14-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 308.51 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 120901550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).