4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

C15H30N2 — CID 20664177

IUPAC4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CCN(CC2CN(C(C)C)CC2C)CC1
InChIInChI=1S/C15H30N2/c1-12(2)17-9-14(4)15(11-17)10-16-7-5-13(3)6-8-16/h12-15H,5-11H2,1-4H3
InChIKeyPDQCSZVTRDQUCP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.69
Rot. Bonds3

About 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 20664177) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
PubChem CID20664177
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CCN(CC2CN(C(C)C)CC2C)CC1
InChIInChI=1S/C15H30N2/c1-12(2)17-9-14(4)15(11-17)10-16-7-5-13(3)6-8-16/h12-15H,5-11H2,1-4H3
InChIKeyPDQCSZVTRDQUCP-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
CID 176983713
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
CID 89385855
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 170629430
ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine
CID 176984903
(2R)-2-[(3S,4S)-3-(3-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid
CID 59959101
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (CID 20664177) is 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is CC1CCN(CC2CN(C(C)C)CC2C)CC1.
What is the InChIKey of 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is PDQCSZVTRDQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)17-9-14(4)15(11-17)10-16-7-5-13(3)6-8-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 20664177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).