3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

C12H20N2 — CID 123761097

IUPAC3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCC1CCCN(CC2=CCC(N)=C2)C1
InChIInChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyPKDCUKSPNNRKRU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.89
Rot. Bonds2

About 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine

3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (PubChem CID 123761097) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
PubChem CID123761097
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
SMILESCC1CCCN(CC2=CCC(N)=C2)C1
InChIInChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyPKDCUKSPNNRKRU-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Isobutylhexahydropyrrolo[1,2-a]pyrazine
CID 149841407
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
N-fluoro-5-(1-methylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-amine
CID 134365781
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943
(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088
2-Methyl-4-(1-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine
CID 68209744
(+/-) 7-Amino-1,2-dimethyl-tetrahydroisoquinoline
CID 70154657
1,1,2-Trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine
CID 70248514

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine (CID 123761097) is 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is CC1CCCN(CC2=CCC(N)=C2)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is PKDCUKSPNNRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-3-2-6-14(8-10)9-11-4-5-12(13)7-11/h4,7,10H,2-3,5-6,8-9,13H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine?
3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 123761097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).