1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine

C12H22N2 — CID 145472799

IUPAC1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine
SMILESC/C=C/N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2/c1-2-7-13-10-5-12(6-11-13)14-8-3-4-9-14/h2,7,12H,3-6,8-11H2,1H3/b7-2+
InChIKeyUPTXMWAKXFYZHI-FARCUNLSSA-N
MW194.32 g/mol
LogP2.08
Rot. Bonds2

About 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine

1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine (PubChem CID 145472799) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine
PubChem CID145472799
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine
SMILESC/C=C/N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2/c1-2-7-13-10-5-12(6-11-13)14-8-3-4-9-14/h2,7,12H,3-6,8-11H2,1H3/b7-2+
InChIKeyUPTXMWAKXFYZHI-FARCUNLSSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate
CID 79897203
1-cyclopropylpiperidine
CID 10909573
1-methanidyl-4-pyrrolidin-1-ylpiperidine
CID 20723224
(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbaldehyde
CID 87225922
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
1-cyclohexylpiperidine;methane
CID 143122486
1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine
CID 135265322
4-piperidin-1-yl-1-sulfanylpiperidine
CID 90720397
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896700

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine (CID 145472799) is 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine is C/C=C/N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine?
The InChIKey is UPTXMWAKXFYZHI-FARCUNLSSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-7-13-10-5-12(6-11-13)14-8-3-4-9-14/h2,7,12H,3-6,8-11H2,1H3/b7-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine?
1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine has a molecular weight of 194.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 145472799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).