[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine

C17H26N2 — CID 126427460

IUPAC[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(C2CCc3ccccc3CC2)C1
InChIInChI=1S/C17H26N2/c18-12-14-4-3-11-19(13-14)17-9-7-15-5-1-2-6-16(15)8-10-17/h1-2,5-6,14,17H,3-4,7-13,18H2/t14-/m1/s1
InChIKeyMCCHRWKZGQHPML-CQSZACIVSA-N
MW258.41 g/mol
LogP2.60
Rot. Bonds2

About [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine

[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine (PubChem CID 126427460) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
PubChem CID126427460
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(C2CCc3ccccc3CC2)C1
InChIInChI=1S/C17H26N2/c18-12-14-4-3-11-19(13-14)17-9-7-15-5-1-2-6-16(15)8-10-17/h1-2,5-6,14,17H,3-4,7-13,18H2/t14-/m1/s1
InChIKeyMCCHRWKZGQHPML-CQSZACIVSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine with MolForge

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Related Compounds

[(3R)-1-cyclopentylpiperidin-3-yl]methanamine
CID 27440320
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
CID 64753900
[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
CID 65095184
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 117005645
[1-(3-ethylcyclopentyl)piperidin-3-yl]methanamine
CID 64513588
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine (CID 126427460) is [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine is NC[C@H]1CCCN(C2CCc3ccccc3CC2)C1.
What is the InChIKey of [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine?
The InChIKey is MCCHRWKZGQHPML-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2/c18-12-14-4-3-11-19(13-14)17-9-7-15-5-1-2-6-16(15)8-10-17/h1-2,5-6,14,17H,3-4,7-13,18H2/t14-/m1/s1.
What are the key properties of [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine?
[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 126427460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).