(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride

C14H26ClN — CID 131865526

IUPAC(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
SMILESC1CC[C@H]2CC3(CCNCC3)CC[C@@H]2C1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-4-13-11-14(6-5-12(13)3-1)7-9-15-10-8-14;/h12-13,15H,1-11H2;1H/t12-,13-;/m0./s1
InChIKeyCAXUVPXRLKHSBW-QNTKWALQSA-N
MW243.82 g/mol
LogP3.77
Rot. Bonds

About (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride

(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride (PubChem CID 131865526) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
PubChem CID131865526
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC Name(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
SMILESC1CC[C@H]2CC3(CCNCC3)CC[C@@H]2C1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-4-13-11-14(6-5-12(13)3-1)7-9-15-10-8-14;/h12-13,15H,1-11H2;1H/t12-,13-;/m0./s1
InChIKeyCAXUVPXRLKHSBW-QNTKWALQSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride with MolForge

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Related Compounds

10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
CID 123835848
8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane
CID 167142150
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
9-bromo-3-azaspiro[5.5]undecane
CID 177171896
3-propyl-8-azaspiro[4.5]decane
CID 177021329
10-spiro[5.5]undecan-4-yl-1,4-diazaspiro[5.5]undecane
CID 138751441
4-(8-azaspiro[4.5]decan-3-yl)morpholine;hydrochloride
CID 169144139
pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
CID 123331321

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride?
The IUPAC name of (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride (CID 131865526) is (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride.
What is the SMILES notation for (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride?
The canonical SMILES for (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride is C1CC[C@H]2CC3(CCNCC3)CC[C@@H]2C1.Cl.
What is the InChIKey of (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride?
The InChIKey is CAXUVPXRLKHSBW-QNTKWALQSA-N. The full InChI is InChI=1S/C14H25N.ClH/c1-2-4-13-11-14(6-5-12(13)3-1)7-9-15-10-8-14;/h12-13,15H,1-11H2;1H/t12-,13-;/m0./s1.
What are the key properties of (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride?
(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride has a molecular weight of 243.82 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride is sourced from PubChem (CID 131865526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).