(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C15H28N2 — CID 163047261

IUPAC(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1CCN(C[C@H]2CCC[C@@H]3CCCN[C@@H]32)CC1
InChIInChI=1S/C15H28N2/c1-2-10-17(11-3-1)12-14-7-4-6-13-8-5-9-16-15(13)14/h13-16H,1-12H2/t13-,14-,15+/m1/s1
InChIKeySVDDLFTVUZEYQM-KFWWJZLASA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds2

About (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 163047261) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID163047261
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1CCN(C[C@H]2CCC[C@@H]3CCCN[C@@H]32)CC1
InChIInChI=1S/C15H28N2/c1-2-10-17(11-3-1)12-14-7-4-6-13-8-5-9-16-15(13)14/h13-16H,1-12H2/t13-,14-,15+/m1/s1
InChIKeySVDDLFTVUZEYQM-KFWWJZLASA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 163047261) is (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is C1CCN(C[C@H]2CCC[C@@H]3CCCN[C@@H]32)CC1.
What is the InChIKey of (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is SVDDLFTVUZEYQM-KFWWJZLASA-N. The full InChI is InChI=1S/C15H28N2/c1-2-10-17(11-3-1)12-14-7-4-6-13-8-5-9-16-15(13)14/h13-16H,1-12H2/t13-,14-,15+/m1/s1.
What are the key properties of (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 236.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 163047261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).