3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine

C12H22N2 — CID 155439712

IUPAC3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine
SMILESC=C(CN1CCC[C@H](C)C1)N/C=C\C
InChIInChI=1S/C12H22N2/c1-4-7-13-12(3)10-14-8-5-6-11(2)9-14/h4,7,11,13H,3,5-6,8-10H2,1-2H3/b7-4-/t11-/m0/s1
InChIKeyKPQGJNRKLUNSDE-IBHLPDHGSA-N
MW194.32 g/mol
LogP2.36
Rot. Bonds4

About 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine

3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine (PubChem CID 155439712) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine
PubChem CID155439712
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine
SMILESC=C(CN1CCC[C@H](C)C1)N/C=C\C
InChIInChI=1S/C12H22N2/c1-4-7-13-12(3)10-14-8-5-6-11(2)9-14/h4,7,11,13H,3,5-6,8-10H2,1-2H3/b7-4-/t11-/m0/s1
InChIKeyKPQGJNRKLUNSDE-IBHLPDHGSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine (CID 155439712) is 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine is C=C(CN1CCC[C@H](C)C1)N/C=C\C.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine?
The InChIKey is KPQGJNRKLUNSDE-IBHLPDHGSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-13-12(3)10-14-8-5-6-11(2)9-14/h4,7,11,13H,3,5-6,8-10H2,1-2H3/b7-4-/t11-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine?
3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]-N-[(Z)-prop-1-enyl]prop-1-en-2-amine is sourced from PubChem (CID 155439712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).