1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine

C11H21ClN2 — CID 106440306

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
SMILESCC(=CCl)CN1CCNC(C(C)C)C1
InChIInChI=1S/C11H21ClN2/c1-9(2)11-8-14(5-4-13-11)7-10(3)6-12/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyNWYLMQULHKKYRJ-UHFFFAOYSA-N
MW216.76 g/mol
LogP2.06
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine

1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine (PubChem CID 106440306) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
PubChem CID106440306
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
SMILESCC(=CCl)CN1CCNC(C(C)C)C1
InChIInChI=1S/C11H21ClN2/c1-9(2)11-8-14(5-4-13-11)7-10(3)6-12/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyNWYLMQULHKKYRJ-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-[(3S)-3-propan-2-ylpiperazin-1-yl]propan-2-amine
CID 130676072
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
CID 130735647
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439945
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
1-(2-methoxy-2-methylpropyl)-3-propan-2-ylpiperazine
CID 104766328

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine (CID 106440306) is 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine is CC(=CCl)CN1CCNC(C(C)C)C1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine?
The InChIKey is NWYLMQULHKKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c1-9(2)11-8-14(5-4-13-11)7-10(3)6-12/h6,9,11,13H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine?
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine has a molecular weight of 216.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 106440306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).