3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine

C21H41N3 — CID 146610244

IUPAC3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(CC(C)N2CCC(CC(C)N3CCC3)C2)C1
InChIInChI=1S/C21H41N3/c1-17(2)23-9-5-7-20(15-23)14-19(4)24-12-8-21(16-24)13-18(3)22-10-6-11-22/h17-21H,5-16H2,1-4H3
InChIKeyONZNSWZTOTZMCB-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds7

About 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine

3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine (PubChem CID 146610244) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
PubChem CID146610244
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(CC(C)N2CCC(CC(C)N3CCC3)C2)C1
InChIInChI=1S/C21H41N3/c1-17(2)23-9-5-7-20(15-23)14-19(4)24-12-8-21(16-24)13-18(3)22-10-6-11-22/h17-21H,5-16H2,1-4H3
InChIKeyONZNSWZTOTZMCB-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 129190094
4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane
CID 170009594
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
O-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]hydroxylamine
CID 117126792
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine?
The IUPAC name of 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine (CID 146610244) is 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine is CC(C)N1CCCC(CC(C)N2CCC(CC(C)N3CCC3)C2)C1.
What is the InChIKey of 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine?
The InChIKey is ONZNSWZTOTZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-17(2)23-9-5-7-20(15-23)14-19(4)24-12-8-21(16-24)13-18(3)22-10-6-11-22/h17-21H,5-16H2,1-4H3.
What are the key properties of 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine?
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 146610244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).