1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine

C23H34N2 — CID 137436018

IUPAC1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
SMILESC[C@]12CC3CC(CN4CCC(N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C23H34N2/c1-21-11-18-12-22(14-21,17-25-9-7-20(24)8-10-25)16-23(13-18,15-21)19-5-3-2-4-6-19/h2-6,18,20H,7-17,24H2,1H3/t18?,21-,22?,23+/m0/s1
InChIKeyZAUMWHQQGQOHLL-LWZIIBGRSA-N
MW338.54 g/mol
LogP4.34
Rot. Bonds3

About 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine

1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine (PubChem CID 137436018) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
PubChem CID137436018
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
SMILESC[C@]12CC3CC(CN4CCC(N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C23H34N2/c1-21-11-18-12-22(14-21,17-25-9-7-20(24)8-10-25)16-23(13-18,15-21)19-5-3-2-4-6-19/h2-6,18,20H,7-17,24H2,1H3/t18?,21-,22?,23+/m0/s1
InChIKeyZAUMWHQQGQOHLL-LWZIIBGRSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
[(1R,3R,5R,7S)-3-methyl-5-phenyl-1-adamantyl]methyl (E)-3-phenylprop-2-enoate
CID 98182607
4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
CID 162525574
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine
CID 137435976
(3-ethyl-5-phenyl-1-adamantyl)methanamine
CID 142519813
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
2-cyclohexyl-1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]ethanone
CID 158432369
1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]-2-[(2R,4R)-2-methylpiperidin-4-yl]ethanone
CID 162166713
1-[(3S,5S)-3-methyl-5-phenyl-1-adamantyl]-2-[(2S,4S)-2-methylpiperidin-4-yl]ethanone
CID 159784980
[4-[2-(3-ethyl-5-phenyl-1-adamantyl)ethyl]cyclohexyl]methanamine
CID 157358034

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine (CID 137436018) is 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine is C[C@]12CC3CC(CN4CCC(N)CC4)(C1)C[C@@](c1ccccc1)(C3)C2.
What is the InChIKey of 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine?
The InChIKey is ZAUMWHQQGQOHLL-LWZIIBGRSA-N. The full InChI is InChI=1S/C23H34N2/c1-21-11-18-12-22(14-21,17-25-9-7-20(24)8-10-25)16-23(13-18,15-21)19-5-3-2-4-6-19/h2-6,18,20H,7-17,24H2,1H3/t18?,21-,22?,23+/m0/s1.
What are the key properties of 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine?
1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine has a molecular weight of 338.54 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine is sourced from PubChem (CID 137436018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).