4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine

C19H37N3 — CID 170063897

IUPAC4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CN2CCC(N3CCC(C)C3)CC2)CC1
InChIInChI=1S/C19H37N3/c1-3-9-20-10-5-18(6-11-20)16-21-12-7-19(8-13-21)22-14-4-17(2)15-22/h17-19H,3-16H2,1-2H3
InChIKeyJNYNSIZKHXDZBL-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.91
Rot. Bonds5

About 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine

4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine (PubChem CID 170063897) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine
PubChem CID170063897
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CN2CCC(N3CCC(C)C3)CC2)CC1
InChIInChI=1S/C19H37N3/c1-3-9-20-10-5-18(6-11-20)16-21-12-7-19(8-13-21)22-14-4-17(2)15-22/h17-19H,3-16H2,1-2H3
InChIKeyJNYNSIZKHXDZBL-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
4-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-3-amine
CID 103575589
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
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine (CID 170063897) is 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine is CCCN1CCC(CN2CCC(N3CCC(C)C3)CC2)CC1.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The InChIKey is JNYNSIZKHXDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-3-9-20-10-5-18(6-11-20)16-21-12-7-19(8-13-21)22-14-4-17(2)15-22/h17-19H,3-16H2,1-2H3.
What are the key properties of 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine has a molecular weight of 307.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)-1-[(1-propylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 170063897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).