(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol

C16H24N2O — CID 83920140

IUPAC(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol
SMILESOCC1CCNC2CCN(Cc3ccccc3)CC12
InChIInChI=1S/C16H24N2O/c19-12-14-6-8-17-16-7-9-18(11-15(14)16)10-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2
InChIKeyYHZDQHBKHXPLGX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.48
Rot. Bonds3

About (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol

(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol (PubChem CID 83920140) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol.

Molecular Properties

Compound Name(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol
PubChem CID83920140
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol
SMILESOCC1CCNC2CCN(Cc3ccccc3)CC12
InChIInChI=1S/C16H24N2O/c19-12-14-6-8-17-16-7-9-18(11-15(14)16)10-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2
InChIKeyYHZDQHBKHXPLGX-UHFFFAOYSA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
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(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
5-benzyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-amine;hydrochloride
CID 76845457
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 124833174
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol?
The IUPAC name of (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol (CID 83920140) is (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol.
What is the SMILES notation for (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol?
The canonical SMILES for (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol is OCC1CCNC2CCN(Cc3ccccc3)CC12.
What is the InChIKey of (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol?
The InChIKey is YHZDQHBKHXPLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-12-14-6-8-17-16-7-9-18(11-15(14)16)10-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12H2.
What are the key properties of (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol?
(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol has a molecular weight of 260.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol is sourced from PubChem (CID 83920140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).