ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine

C16H34N2 — CID 166490060

IUPACethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
SMILESCC.CC(C)C1CCN(CC[C@H]2CCNC2)CC1
InChIInChI=1S/C14H28N2.C2H6/c1-12(2)14-5-9-16(10-6-14)8-4-13-3-7-15-11-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3/t13-;/m1./s1
InChIKeyKUPRVLGNHBCQJD-BTQNPOSSSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds4

About ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine

ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine (PubChem CID 166490060) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
PubChem CID166490060
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Nameethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
SMILESCC.CC(C)C1CCN(CC[C@H]2CCNC2)CC1
InChIInChI=1S/C14H28N2.C2H6/c1-12(2)14-5-9-16(10-6-14)8-4-13-3-7-15-11-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3/t13-;/m1./s1
InChIKeyKUPRVLGNHBCQJD-BTQNPOSSSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490061
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine?
The IUPAC name of ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine (CID 166490060) is ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine.
What is the SMILES notation for ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine?
The canonical SMILES for ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine is CC.CC(C)C1CCN(CC[C@H]2CCNC2)CC1.
What is the InChIKey of ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine?
The InChIKey is KUPRVLGNHBCQJD-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H28N2.C2H6/c1-12(2)14-5-9-16(10-6-14)8-4-13-3-7-15-11-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3/t13-;/m1./s1.
What are the key properties of ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine?
ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine is sourced from PubChem (CID 166490060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).