(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C19H27NO — CID 121479059

IUPAC(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C19H27NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17/h9-10,13,18H,2-8,11-12,14H2,1H3
InChIKeyTWVUHAVYXHLGDB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.87
Rot. Bonds4

About (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 121479059) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID121479059
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C19H27NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17/h9-10,13,18H,2-8,11-12,14H2,1H3
InChIKeyTWVUHAVYXHLGDB-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 121479059) is (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is CCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is TWVUHAVYXHLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17/h9-10,13,18H,2-8,11-12,14H2,1H3.
What are the key properties of (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 285.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 121479059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).