2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine

C18H35N3 — CID 167216617

IUPAC2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2CCNC(CC[C@H]3CCCNC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-11-21(12-3-1)15-17-8-10-20-18(13-17)7-6-16-5-4-9-19-14-16/h16-20H,1-15H2/t16-,17?,18?/m1/s1
InChIKeyVKHKWMIBZJNRJJ-WWDZGPRUSA-N
MW293.50 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine

2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 167216617) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine
PubChem CID167216617
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2CCNC(CC[C@H]3CCCNC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-11-21(12-3-1)15-17-8-10-20-18(13-17)7-6-16-5-4-9-19-14-16/h16-20H,1-15H2/t16-,17?,18?/m1/s1
InChIKeyVKHKWMIBZJNRJJ-WWDZGPRUSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
CID 62356152
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
[4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270876
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
1-(aziridin-2-ylmethyl)piperidine
CID 21193250
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine (CID 167216617) is 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine is C1CCN(CC2CCNC(CC[C@H]3CCCNC3)C2)CC1.
What is the InChIKey of 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is VKHKWMIBZJNRJJ-WWDZGPRUSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-11-21(12-3-1)15-17-8-10-20-18(13-17)7-6-16-5-4-9-19-14-16/h16-20H,1-15H2/t16-,17?,18?/m1/s1.
What are the key properties of 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine?
2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-piperidin-3-yl]ethyl]-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 167216617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).