4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine

C14H28N2 — CID 158071698

IUPAC4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyPGOVDYNYHXUBTF-ZDUSSCGKSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine

4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 158071698) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID158071698
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyPGOVDYNYHXUBTF-ZDUSSCGKSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 140910769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine (CID 158071698) is 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(C)(N2CC[C@H](C)C2)CC1.
What is the InChIKey of 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is PGOVDYNYHXUBTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)15-9-6-14(4,7-10-15)16-8-5-13(3)11-16/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine?
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 224.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 158071698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).