1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine

C17H26N2O — CID 124881489

IUPAC1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
SMILESCCCN1CCN(C[C@@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-2-8-18-9-11-19(12-10-18)14-15-7-13-20-17-6-4-3-5-16(15)17/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1
InChIKeyTVBJTTRHSTULDU-HNNXBMFYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds4

About 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine

1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine (PubChem CID 124881489) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
PubChem CID124881489
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
SMILESCCCN1CCN(C[C@@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-2-8-18-9-11-19(12-10-18)14-15-7-13-20-17-6-4-3-5-16(15)17/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1
InChIKeyTVBJTTRHSTULDU-HNNXBMFYSA-N
XLogP2.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 22154243
4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
CID 22154312
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
CID 134230439
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine?
The IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine (CID 124881489) is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine.
What is the SMILES notation for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine?
The canonical SMILES for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine is CCCN1CCN(C[C@@H]2CCOc3ccccc32)CC1.
What is the InChIKey of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine?
The InChIKey is TVBJTTRHSTULDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-8-18-9-11-19(12-10-18)14-15-7-13-20-17-6-4-3-5-16(15)17/h3-6,15H,2,7-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine?
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine is sourced from PubChem (CID 124881489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).