1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine

C15H31N3O — CID 154957359

IUPAC1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)(C)OCCN1CC[C@@H](CN2CCNCC2)C1
InChIInChI=1S/C15H31N3O/c1-15(2,3)19-11-10-17-7-4-14(12-17)13-18-8-5-16-6-9-18/h14,16H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyCOWIWADQEINVPF-CQSZACIVSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds5

About 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine

1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine (PubChem CID 154957359) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
PubChem CID154957359
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)(C)OCCN1CC[C@@H](CN2CCNCC2)C1
InChIInChI=1S/C15H31N3O/c1-15(2,3)19-11-10-17-7-4-14(12-17)13-18-8-5-16-6-9-18/h14,16H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyCOWIWADQEINVPF-CQSZACIVSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,5-dimethyl-5-[4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]hexan-2-yl]-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 146526531
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
CID 166004662
ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
CID 142386268
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
CID 166788258
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane
CID 140899205

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine (CID 154957359) is 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine is CC(C)(C)OCCN1CC[C@@H](CN2CCNCC2)C1.
What is the InChIKey of 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine?
The InChIKey is COWIWADQEINVPF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)19-11-10-17-7-4-14(12-17)13-18-8-5-16-6-9-18/h14,16H,4-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine?
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 154957359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).