(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine

C17H24N2 — CID 143723483

IUPAC(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine
SMILESC=C1CCc2ccc(N3CCCCC3)nc2[C@@H](C)C1
InChIInChI=1S/C17H24N2/c1-13-6-7-15-8-9-16(18-17(15)14(2)12-13)19-10-4-3-5-11-19/h8-9,14H,1,3-7,10-12H2,2H3/t14-/m0/s1
InChIKeyYTWOHKZKIVIAGD-AWEZNQCLSA-N
MW256.39 g/mol
LogP4.07
Rot. Bonds1

About (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine

(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine (PubChem CID 143723483) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine
PubChem CID143723483
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine
SMILESC=C1CCc2ccc(N3CCCCC3)nc2[C@@H](C)C1
InChIInChI=1S/C17H24N2/c1-13-6-7-15-8-9-16(18-17(15)14(2)12-13)19-10-4-3-5-11-19/h8-9,14H,1,3-7,10-12H2,2H3/t14-/m0/s1
InChIKeyYTWOHKZKIVIAGD-AWEZNQCLSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine?
The IUPAC name of (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine (CID 143723483) is (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine.
What is the SMILES notation for (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine?
The canonical SMILES for (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine is C=C1CCc2ccc(N3CCCCC3)nc2[C@@H](C)C1.
What is the InChIKey of (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine?
The InChIKey is YTWOHKZKIVIAGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-6-7-15-8-9-16(18-17(15)14(2)12-13)19-10-4-3-5-11-19/h8-9,14H,1,3-7,10-12H2,2H3/t14-/m0/s1.
What are the key properties of (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine?
(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine has a molecular weight of 256.39 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine is sourced from PubChem (CID 143723483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).