1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine

C15H29N3O — CID 62412100

IUPAC1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN2CCN(CC3CC3)CC2)O1
InChIInChI=1S/C15H29N3O/c1-16-10-14-4-5-15(19-14)12-18-8-6-17(7-9-18)11-13-2-3-13/h13-16H,2-12H2,1H3
InChIKeyPQMZHJSHHAZSCD-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.78
Rot. Bonds6

About 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 62412100) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID62412100
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN2CCN(CC3CC3)CC2)O1
InChIInChI=1S/C15H29N3O/c1-16-10-14-4-5-15(19-14)12-18-8-6-17(7-9-18)11-13-2-3-13/h13-16H,2-12H2,1H3
InChIKeyPQMZHJSHHAZSCD-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine (CID 62412100) is 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(CN2CCN(CC3CC3)CC2)O1.
What is the InChIKey of 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is PQMZHJSHHAZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16-10-14-4-5-15(19-14)12-18-8-6-17(7-9-18)11-13-2-3-13/h13-16H,2-12H2,1H3.
What are the key properties of 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 267.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62412100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).