1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine

C11H23N3 — CID 97297803

IUPAC1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
SMILESC[C@@H]([C@H]1CCCCN1)N1CCNCC1
InChIInChI=1S/C11H23N3/c1-10(11-4-2-3-5-13-11)14-8-6-12-7-9-14/h10-13H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyWAJCBUWSSLPDAP-WDEREUQCSA-N
MW197.33 g/mol
LogP0.42
Rot. Bonds2

About 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine

1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine (PubChem CID 97297803) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
PubChem CID97297803
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
SMILESC[C@@H]([C@H]1CCCCN1)N1CCNCC1
InChIInChI=1S/C11H23N3/c1-10(11-4-2-3-5-13-11)14-8-6-12-7-9-14/h10-13H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyWAJCBUWSSLPDAP-WDEREUQCSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
1-(1-pyrrolidin-2-ylethyl)piperidin-4-ol
CID 130787822
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-[1-(1-pyrrolidin-2-ylethyl)piperidin-4-yl]ethanol
CID 173240343
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
4-(1-piperazin-1-ylethyl)azepane
CID 82394500
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 158490394
7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
CID 131002453
1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine
CID 173416506
1-(1-piperidin-2-ylethyl)azepane-2,7-dione
CID 43523558

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine (CID 97297803) is 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine is C[C@@H]([C@H]1CCCCN1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine?
The InChIKey is WAJCBUWSSLPDAP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(11-4-2-3-5-13-11)14-8-6-12-7-9-14/h10-13H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine?
1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine is sourced from PubChem (CID 97297803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).