2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride

C17H27ClN2 — CID 120728467

IUPAC2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C17H26N2.ClH/c18-11-10-14-5-4-12-19(13-14)17-9-3-7-15-6-1-2-8-16(15)17;/h1-2,6,8,14,17H,3-5,7,9-13,18H2;1H
InChIKeyACRSARFNHGWNHR-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride

2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728467) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728467
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C17H26N2.ClH/c18-11-10-14-5-4-12-19(13-14)17-9-3-7-15-6-1-2-8-16(15)17;/h1-2,6,8,14,17H,3-5,7,9-13,18H2;1H
InChIKeyACRSARFNHGWNHR-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62522961
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
CID 79987341
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride (CID 120728467) is 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(C2CCCc3ccccc32)C1.
What is the InChIKey of 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is ACRSARFNHGWNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.ClH/c18-11-10-14-5-4-12-19(13-14)17-9-3-7-15-6-1-2-8-16(15)17;/h1-2,6,8,14,17H,3-5,7,9-13,18H2;1H.
What are the key properties of 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride?
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 294.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).