4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine

C18H32N2 — CID 39826522

IUPAC4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine
SMILESC[C@H](C1CCN(C[C@@H]2CC23CCC3)CC1)N1CCCC1
InChIInChI=1S/C18H32N2/c1-15(20-9-2-3-10-20)16-5-11-19(12-6-16)14-17-13-18(17)7-4-8-18/h15-17H,2-14H2,1H3/t15-,17+/m1/s1
InChIKeyAYQMOFYUFAWQFU-WBVHZDCISA-N
MW276.47 g/mol
LogP3.37
Rot. Bonds4

About 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine

4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine (PubChem CID 39826522) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine
PubChem CID39826522
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine
SMILESC[C@H](C1CCN(C[C@@H]2CC23CCC3)CC1)N1CCCC1
InChIInChI=1S/C18H32N2/c1-15(20-9-2-3-10-20)16-5-11-19(12-6-16)14-17-13-18(17)7-4-8-18/h15-17H,2-14H2,1H3/t15-,17+/m1/s1
InChIKeyAYQMOFYUFAWQFU-WBVHZDCISA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine with MolForge

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Related Compounds

1-ethyl-4-(1-piperidin-1-ylethyl)piperidine
CID 176562548
1-(spiro[2.5]octan-2-ylmethyl)piperidine
CID 167550931
1-ethyl-4-[1-(1-ethylpiperidin-4-yl)ethyl]piperazine
CID 167088968
(2R)-2-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane
CID 95358767
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
bis(4-(1-pyrrolidin-1-ylethyl)piperidine);hydrate;tetrahydrochloride
CID 53398924
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
CID 95861049
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
5-propan-2-yl-5-azaspiro[2.5]octan-2-amine
CID 155648637
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine?
The IUPAC name of 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine (CID 39826522) is 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine?
The canonical SMILES for 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine is C[C@H](C1CCN(C[C@@H]2CC23CCC3)CC1)N1CCCC1.
What is the InChIKey of 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine?
The InChIKey is AYQMOFYUFAWQFU-WBVHZDCISA-N. The full InChI is InChI=1S/C18H32N2/c1-15(20-9-2-3-10-20)16-5-11-19(12-6-16)14-17-13-18(17)7-4-8-18/h15-17H,2-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine?
4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine has a molecular weight of 276.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-pyrrolidin-1-ylethyl]-1-[[(2R)-spiro[2.3]hexan-2-yl]methyl]piperidine is sourced from PubChem (CID 39826522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).