1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride

C15H26ClN — CID 45263635

IUPAC1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride
SMILESCN1CCC2(CC1)C1CC3CC(C1)CC2C3.Cl
InChIInChI=1S/C15H25N.ClH/c1-16-4-2-15(3-5-16)13-7-11-6-12(9-13)10-14(15)8-11;/h11-14H,2-10H2,1H3;1H
InChIKeyBBOONPNLVKNHKD-UHFFFAOYSA-N
MW255.83 g/mol
LogP3.58
Rot. Bonds

About 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride

1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride (PubChem CID 45263635) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride
PubChem CID45263635
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Name1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride
SMILESCN1CCC2(CC1)C1CC3CC(C1)CC2C3.Cl
InChIInChI=1S/C15H25N.ClH/c1-16-4-2-15(3-5-16)13-7-11-6-12(9-13)10-14(15)8-11;/h11-14H,2-10H2,1H3;1H
InChIKeyBBOONPNLVKNHKD-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride?
The IUPAC name of 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride (CID 45263635) is 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride is CN1CCC2(CC1)C1CC3CC(C1)CC2C3.Cl.
What is the InChIKey of 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride?
The InChIKey is BBOONPNLVKNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.ClH/c1-16-4-2-15(3-5-16)13-7-11-6-12(9-13)10-14(15)8-11;/h11-14H,2-10H2,1H3;1H.
What are the key properties of 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride?
1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride has a molecular weight of 255.83 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[adamantane-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 45263635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).