(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine

C24H24N4O — CID 71626139

IUPAC(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine
SMILESc1ccc(-n2cc([C@@H]3CCNC[C@H]3OCc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C24H24N4O/c1-2-8-21(9-3-1)28-16-23(26-27-28)22-12-13-25-15-24(22)29-17-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,16,22,24-25H,12-13,15,17H2/t22-,24+/m0/s1
InChIKeyRAHOAPVZMVBKDL-LADGPHEKSA-N
MW384.48 g/mol
LogP4.08
Rot. Bonds5

About (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine

(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine (PubChem CID 71626139) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine.

Molecular Properties

Compound Name(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine
PubChem CID71626139
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine
SMILESc1ccc(-n2cc([C@@H]3CCNC[C@H]3OCc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C24H24N4O/c1-2-8-21(9-3-1)28-16-23(26-27-28)22-12-13-25-15-24(22)29-17-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,16,22,24-25H,12-13,15,17H2/t22-,24+/m0/s1
InChIKeyRAHOAPVZMVBKDL-LADGPHEKSA-N
XLogP4.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine?
The IUPAC name of (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine (CID 71626139) is (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine.
What is the SMILES notation for (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine?
The canonical SMILES for (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine is c1ccc(-n2cc([C@@H]3CCNC[C@H]3OCc3ccc4ccccc4c3)nn2)cc1.
What is the InChIKey of (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine?
The InChIKey is RAHOAPVZMVBKDL-LADGPHEKSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-8-21(9-3-1)28-16-23(26-27-28)22-12-13-25-15-24(22)29-17-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,16,22,24-25H,12-13,15,17H2/t22-,24+/m0/s1.
What are the key properties of (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine?
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine has a molecular weight of 384.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(naphthalen-2-ylmethoxy)-4-(1-phenyltriazol-4-yl)piperidine is sourced from PubChem (CID 71626139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).